data_2ee4_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 2ee4 _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 core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' CD ' HG23 ' A' ' 137' ' ' VAL . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 144' ' ' HIS . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CD2' HG23 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 147' ' ' ARG . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 37' ' ' PHE . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG23 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' ALA . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' PRO . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.633 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 130' ' ' PHE . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 101' ' ' TYR . 2.6 m170 -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 110' ' ' ALA . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.498 ' O ' ' CE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 103' ' ' LEU . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . 0.498 ' CE1' ' O ' ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.404 HG23 ' CD ' ' A' ' 28' ' ' PRO . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.517 ' CE2' HG13 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.517 HG13 ' CE2' ' A' ' 138' ' ' PHE . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.492 ' CG ' HG12 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.404 ' C ' HD23 ' A' ' 43' ' ' LEU . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.497 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.497 HG21 ' CG ' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 165' ' ' CYS . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.564 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 169' ' ' THR . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 189' ' ' SER . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.459 ' NE2' HG21 ' A' ' 208' ' ' VAL . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 9.3 t-20 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 197' ' ' GLN . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.526 0.031 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 144' ' ' HIS . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CG ' HD13 ' A' ' 73' ' ' LEU . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 37' ' ' PHE . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 97' ' ' PRO . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 130' ' ' PHE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.3 m170 -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 187' ' ' HIS . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 114' ' ' PRO . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 113' ' ' ILE . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 ' CD2' ' A' ' 121' ' ' HIS . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 115' ' ' ASP . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.9 m-70 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.4 m120 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.457 HG21 ' CD ' ' A' ' 28' ' ' PRO . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.41 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.41 HG13 ' CE2' ' A' ' 138' ' ' PHE . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.498 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.446 HG12 ' NE2' ' A' ' 188' ' ' GLN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.548 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.4 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 187' ' ' HIS . 28.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 108' ' ' LEU . 13.4 m-70 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.446 ' NE2' HG12 ' A' ' 164' ' ' ILE . 32.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.9 t-20 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' LEU . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 144' ' ' HIS . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' A' ' 171' ' ' MET . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 130' ' ' PHE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.44 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.5 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.455 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.439 ' CG ' HD13 ' A' ' 99' ' ' ILE . 15.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.557 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 12.8 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.446 ' NE2' HG22 ' A' ' 208' ' ' VAL . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.446 HG22 ' NE2' ' A' ' 197' ' ' GLN . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HD23 ' A' ' 20' ' ' LEU . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 15' ' ' MET . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 144' ' ' HIS . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 73' ' ' LEU . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.3 t30 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.425 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASP . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.508 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 130' ' ' PHE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.549 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.44 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.458 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.46 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' ALA . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 169' ' ' THR . 67.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 17.6 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 189' ' ' SER . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 8.0 mm-40 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD2' ' ND2' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' N ' HG13 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 144' ' ' HIS . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' C ' ' A' ' 147' ' ' ARG . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.488 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 37' ' ' PHE . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.497 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 130' ' ' PHE . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.452 ' CB ' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 17' ' ' LEU . 4.8 m120 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.419 HG21 ' CD ' ' A' ' 28' ' ' PRO . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 138' ' ' PHE . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.401 ' C ' HD21 ' A' ' 43' ' ' LEU . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 152' ' ' HIS . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 6.6 mtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 187' ' ' HIS . 10.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 186' ' ' ILE . 70.6 m-70 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.448 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 208' ' ' VAL . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.454 HG21 ' NE2' ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.2 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG12 ' CG ' ' A' ' 144' ' ' HIS . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.52 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 130' ' ' PHE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.474 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.522 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 103' ' ' LEU . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.436 ' ND2' HD21 ' A' ' 17' ' ' LEU . 11.1 m120 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.513 ' CG ' HG12 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.489 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.49 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.477 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.477 HG21 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.415 ' O ' ' CD ' ' A' ' 168' ' ' PRO . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.489 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.433 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 39.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.534 ' CE1' HD23 ' A' ' 108' ' ' LEU . 50.3 m-70 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 7.8 mm-40 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.436 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG11 ' CG ' ' A' ' 144' ' ' HIS . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.407 ' C ' ' HA ' ' A' ' 155' ' ' ASN . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.4 t30 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 37' ' ' PHE . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASP . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 130' ' ' PHE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.49 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 187' ' ' HIS . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 122' ' ' ALA . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 115' ' ' ASP . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 110' ' ' ALA . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 103' ' ' LEU . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.434 ' ND2' HD23 ' A' ' 17' ' ' LEU . 8.4 m120 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG11 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 195' ' ' ILE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.407 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.514 HG23 ' CG ' ' A' ' 152' ' ' HIS . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.505 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 33.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 187' ' ' HIS . 47.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.494 ' CE1' HD12 ' A' ' 108' ' ' LEU . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 189' ' ' SER . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 145' ' ' LEU . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.458 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG13 ' CG ' ' A' ' 144' ' ' HIS . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 73' ' ' LEU . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' PRO . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.698 ' CE1' ' CE1' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.494 HD13 ' CE1' ' A' ' 130' ' ' PHE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.698 ' CE1' ' CE1' ' A' ' 101' ' ' TYR . 2.7 m170 -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' A' ' 115' ' ' ASP . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.404 HG21 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.428 HG22 ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.508 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.428 ' NH1' HG22 ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.2 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.506 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.441 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 169' ' ' THR . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 50.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.462 ' NE2' HG23 ' A' ' 208' ' ' VAL . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.462 HG23 ' NE2' ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' LEU . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 144' ' ' HIS . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CE1' HG23 ' A' ' 41' ' ' THR . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 37' ' ' PHE . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.782 0.325 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 100' ' ' PRO . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.486 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.462 ' CG ' HG23 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.419 HG12 ' CD ' ' A' ' 188' ' ' GLN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.42 ' ND1' ' SD ' ' A' ' 171' ' ' MET . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.419 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 189' ' ' SER . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.554 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.2 t-20 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.496 ' CG ' HD21 ' A' ' 20' ' ' LEU . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 15' ' ' MET . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG13 ' CG ' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 73' ' ' LEU . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.441 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 69' ' ' HIS . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 11.8 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.519 HD11 ' CG ' ' A' ' 37' ' ' PHE . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.525 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.404 ' CD2' ' CD2' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 122' ' ' ALA . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.503 HG21 ' CD2' ' A' ' 121' ' ' HIS . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.503 ' CD2' HG21 ' A' ' 117' ' ' THR . 9.5 m-70 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.539 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.423 HG21 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 144' ' ' HIS . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.444 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.488 HG23 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.439 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' ALA . 27.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.404 ' CD2' ' CD2' ' A' ' 108' ' ' LEU . 11.8 m170 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 10.3 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.43 ' CB ' HD22 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 194' ' ' PHE . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.413 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' LEU . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' A' ' 144' ' ' HIS . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' VAL . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.509 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 130' ' ' PHE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.7 m170 -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.5 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.559 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.514 HG23 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.496 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 169' ' ' THR . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 28.9 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 187' ' ' HIS . 20.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.417 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 144' ' ' HIS . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CB ' HD11 ' A' ' 73' ' ' LEU . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.3 t30 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 37' ' ' PHE . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.48 ' CE1' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.48 HD21 ' CE1' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.438 ' CD1' ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.5 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 130' ' ' PHE . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.483 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.483 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.411 ' CD2' ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.429 ' ND2' HD22 ' A' ' 17' ' ' LEU . 5.9 m120 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.417 HG21 ' CD ' ' A' ' 28' ' ' PRO . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.48 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.48 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.502 ' CG ' HG11 ' A' ' 35' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.564 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.505 ' CG ' HG23 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.505 HG23 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.431 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 169' ' ' THR . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 169' ' ' THR . 25.3 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 187' ' ' HIS . 20.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 186' ' ' ILE . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 189' ' ' SER . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 145' ' ' LEU . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.431 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.419 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.937 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' LEU . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.448 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 144' ' ' HIS . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' ALA . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' PRO . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CE1' ' CD2' ' A' ' 101' ' ' TYR . 2.9 m170 -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' ILE . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.475 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 121' ' ' HIS . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 117' ' ' THR . 27.4 m-70 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 106' ' ' GLU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 103' ' ' LEU . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 28' ' ' PRO . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.506 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.519 ' CG ' HG12 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.439 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.454 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 169' ' ' THR . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.7 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.868 0.366 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.476 ' HA ' ' NE2' ' A' ' 197' ' ' GLN . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 36.4 mm-40 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.534 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . 0.424 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.512 ' N ' ' CG2' ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CD2' HG22 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.442 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HG3' ' CE ' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 10.0 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 3.3 t30 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 83' ' ' VAL . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' THR . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' PRO . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 130' ' ' PHE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.2 m170 -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.479 HD13 ' CE1' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 186' ' ' ILE . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 15.6 m120 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.3 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.512 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.512 HG21 ' CG ' ' A' ' 152' ' ' HIS . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 169' ' ' THR . 37.7 mmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.479 ' CE1' HD13 ' A' ' 108' ' ' LEU . 19.2 m-70 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.406 HG21 ' NE2' ' A' ' 197' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG13 ' CG ' ' A' ' 144' ' ' HIS . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 147' ' ' ARG . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.511 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.465 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 4.5 t30 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 37' ' ' PHE . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 130' ' ' PHE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 122' ' ' ALA . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.513 HG21 ' CD2' ' A' ' 121' ' ' HIS . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 117' ' ' THR . 25.4 m-70 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.566 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.456 HG11 ' CA ' ' A' ' 18' ' ' GLN . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.446 ' ND2' HD21 ' A' ' 17' ' ' LEU . 6.5 m120 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' THR . . . . . 0.432 HG22 ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.432 ' NH1' HG22 ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.503 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 152' ' ' HIS . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . 0.456 HG12 ' NE2' ' A' ' 188' ' ' GLN . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.43 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 10.3 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.36 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 98.0 m-70 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.456 ' NE2' HG12 ' A' ' 164' ' ' ILE . 11.1 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 189' ' ' SER . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.462 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.46 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.8 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.47 HG21 ' NE2' ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.412 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' LEU . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 144' ' ' HIS . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 48' ' ' LEU . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.5 t30 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.446 ' CE ' ' OD1' ' A' ' 60' ' ' ASN . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.479 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.522 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 103' ' ' LEU . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 18' ' ' GLN . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.489 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.504 HG21 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.55 ' CE1' HD23 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 104' ' ' HIS . 55.2 mtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 187' ' ' HIS . 14.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 5.2 m-70 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 189' ' ' SER . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.542 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.433 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.428 ' NE2' HG21 ' A' ' 208' ' ' VAL . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.428 HG21 ' NE2' ' A' ' 197' ' ' GLN . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 29' ' ' LEU . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 144' ' ' HIS . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 148' ' ' VAL . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 79.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG21 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.435 ' N ' HG21 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.465 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' ASP . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' PRO . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.505 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 130' ' ' PHE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.505 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 118' ' ' GLU . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.497 HG23 ' CD2' ' A' ' 121' ' ' HIS . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.434 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CZ ' ' A' ' 201' ' ' PHE . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.497 ' CD2' HG23 ' A' ' 117' ' ' THR . 19.1 m-70 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.56 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.432 HG23 ' CD ' ' A' ' 28' ' ' PRO . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 43' ' ' LEU . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.514 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.455 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 166' ' ' PHE . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 187' ' ' HIS . 18.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.448 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 201' ' ' PHE . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.491 ' CD1' HD11 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 144' ' ' HIS . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.507 ' CD2' HG22 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CE1' HD23 ' A' ' 48' ' ' LEU . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 37' ' ' PHE . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' N ' HG21 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.466 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' HIS . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 117' ' ' THR . 19.2 m-70 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 106' ' ' GLU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 18' ' ' GLN . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.441 ' ND2' HD22 ' A' ' 17' ' ' LEU . 10.2 m120 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.46 HG22 ' CD ' ' A' ' 28' ' ' PRO . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.528 HD12 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.518 HG21 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.457 ' HB1' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.553 ' CE1' HD11 ' A' ' 108' ' ' LEU . 13.8 m-70 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.457 ' CG ' ' HB1' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 207' ' ' ILE . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.476 ' CG ' HD22 ' A' ' 20' ' ' LEU . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' LEU . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' CG ' ' A' ' 144' ' ' HIS . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 37' ' ' PHE . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.535 ' CE1' HD23 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.5 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.499 HD12 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 186' ' ' ILE . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.552 HG23 ' CD2' ' A' ' 121' ' ' HIS . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.552 ' CD2' HG23 ' A' ' 117' ' ' THR . 21.0 m-70 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.548 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 10.5 m120 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.434 HG21 ' CD ' ' A' ' 28' ' ' PRO . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . 0.532 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.519 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.514 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 190' ' ' VAL . 2.8 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.9 m-70 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 186' ' ' ILE . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 198' ' ' CYS . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 201' ' ' PHE . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 32.6 mm-40 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.408 HG21 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . 0.437 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 144' ' ' HIS . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 147' ' ' ARG . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.445 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 48' ' ' LEU . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.445 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.429 ' CE1' HD22 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' PRO . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.52 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 104' ' ' HIS . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.482 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.448 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.543 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . 0.532 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . 0.52 ' CG ' HG11 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 43' ' ' LEU . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' HIS . . . . . 0.539 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LYS . . . . . 0.539 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.488 HG21 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' PHE . . . . . 0.434 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' ILE . . . . . 0.448 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -111.65 129.4 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m -70.99 159.23 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.76 -96.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -54.68 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -79.13 135.4 36.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.44 -47.1 85.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.25 160.7 19.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.85 120.3 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 97.8 p -119.89 162.05 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -98.22 -34.79 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.495 ' CE2' HD23 ' A' ' 20' ' ' LEU . 68.8 t80 -105.51 -38.93 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 14.4 m-85 -69.85 168.77 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' CD ' HG23 ' A' ' 137' ' ' VAL . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.492 HG12 ' CG ' ' A' ' 144' ' ' HIS . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CD2' HG23 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD23 ' C ' ' A' ' 147' ' ' ARG . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' SER . 56.2 t -63.97 123.52 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' VAL . 6.8 t -35.94 -43.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.6 110.35 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -43.01 97.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' THR . 15.1 tptp -45.42 -43.83 11.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' LYS . 82.3 m -33.98 -57.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD13 ' CB ' ' A' ' 37' ' ' PHE . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG23 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' ALA . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' PRO . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.633 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 130' ' ' PHE . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 101' ' ' TYR . 2.6 m170 -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 110' ' ' ALA . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.498 ' O ' ' CE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 103' ' ' LEU . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . 0.498 ' CE1' ' O ' ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.404 HG23 ' CD ' ' A' ' 28' ' ' PRO . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.517 ' CE2' HG13 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.517 HG13 ' CE2' ' A' ' 138' ' ' PHE . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.492 ' CG ' HG12 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.404 ' C ' HD23 ' A' ' 43' ' ' LEU . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.497 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.497 HG21 ' CG ' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 165' ' ' CYS . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.564 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 169' ' ' THR . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp -126.02 104.77 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -114.51 99.87 52.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.454 ' HB2' ' CE2' ' A' ' 175' ' ' PHE . 52.9 Cg_endo -69.81 134.71 28.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -129.74 90.5 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 173' ' ' PRO . 8.4 m-85 -107.06 -54.95 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 42.55 38.8 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -126.46 147.01 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 79.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.5 130.04 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -120.11 178.22 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.2 mt 56.31 47.67 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 183' ' ' THR . 45.2 m -128.9 -34.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 182' ' ' SER . 66.6 p -37.76 142.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 43.3 p -135.87 130.88 34.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.43 45.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 15.4 mt -113.23 -34.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 189' ' ' SER . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.459 ' NE2' HG21 ' A' ' 208' ' ' VAL . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 9.3 t-20 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.441 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 197' ' ' GLN . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t 62.44 43.02 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -132.18 143.76 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.63 58.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -87.08 86.79 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.7 m -156.7 134.03 10.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.1 -44.86 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.468 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.78 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.686 0.279 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -92.7 136.19 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -140.92 163.8 31.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -97.92 -40.04 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -105.02 -52.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -45.26 145.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' CG ' ' A' ' 144' ' ' HIS . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CG ' HD13 ' A' ' 73' ' ' LEU . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.43 140.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -56.52 -47.07 80.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.49 124.29 1.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -39.04 102.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' THR . 4.6 tptm -46.58 -46.19 19.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' LYS . 44.5 m -36.88 -48.27 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.518 HD13 ' CG ' ' A' ' 37' ' ' PHE . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.504 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 HD21 ' CE1' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 97' ' ' PRO . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 130' ' ' PHE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.538 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.3 m170 -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.565 HD13 ' CE1' ' A' ' 187' ' ' HIS . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.434 ' CB ' HG23 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 114' ' ' PRO . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 113' ' ' ILE . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 ' CD2' ' A' ' 121' ' ' HIS . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 115' ' ' ASP . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.418 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.9 m-70 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 6.4 m120 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.457 HG21 ' CD ' ' A' ' 28' ' ' PRO . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.41 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.41 HG13 ' CE2' ' A' ' 138' ' ' PHE . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.498 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.548 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.446 HG12 ' NE2' ' A' ' 188' ' ' GLN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.548 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.4 mtp -123.9 83.24 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -68.25 118.3 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -120.96 60.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.18 -36.08 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 54.86 50.5 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 179' ' ' GLU . 14.6 p-10 -56.79 122.16 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.18 40.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 177' ' ' ASN . 42.6 mt-10 -152.27 144.0 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -91.51 -27.38 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.29 -37.46 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 95.9 p -54.45 -23.03 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 9.9 t -42.6 134.52 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 75.0 p -96.07 -49.66 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.5 tptt 62.57 43.07 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 187' ' ' HIS . 28.7 mt -117.55 -40.68 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.565 ' CE1' HD13 ' A' ' 108' ' ' LEU . 13.4 m-70 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.446 ' NE2' HG12 ' A' ' 164' ' ' ILE . 32.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.434 HG23 ' CB ' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.425 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.411 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.9 t-20 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -55.62 -47.88 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -65.54 -43.64 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.74 120.01 2.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -94.73 40.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -113.8 155.64 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 -53.88 7.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.79 170.76 10.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.731 0.3 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.37 133.89 35.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -143.7 -177.76 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.76 -30.98 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 20' ' ' LEU . 85.8 t80 -105.69 -49.23 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.31 143.61 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 12' ' ' TYR . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 144' ' ' HIS . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.62 141.59 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.9 t -69.1 134.73 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -90.35 107.53 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' LYS . 28.6 t-20 -36.48 100.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' ASN . 2.8 tptm -35.46 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m -39.61 -59.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.402 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' A' ' 171' ' ' MET . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.503 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 130' ' ' PHE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.428 ' CG1' ' HA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.44 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.5 ' CZ ' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.5 HD11 ' CZ ' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.581 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.455 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 172' ' ' ARG . 15.1 mtp -121.77 35.08 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 171' ' ' MET . 2.9 ptp180 -32.81 139.05 0.23 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -172.97 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -139.43 120.69 14.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.72 -46.23 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -56.1 -16.71 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 178' ' ' ARG . 4.1 m120 -100.24 162.07 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 179' ' ' GLU . 34.0 mmt-85 -35.93 101.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 178' ' ' ARG . 2.2 pp20? -34.63 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -165.22 168.27 17.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 8.0 mt 62.44 43.34 8.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -41.69 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 10.0 t -97.0 62.43 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 81.3 p -112.28 -39.52 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 59.96 43.01 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.56 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.557 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 12.8 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.501 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.446 ' NE2' HG22 ' A' ' 208' ' ' VAL . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.501 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.446 HG22 ' NE2' ' A' ' 197' ' ' GLN . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -98.73 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -87.51 142.27 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.97 71.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -66.41 -49.93 65.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -99.74 113.32 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.23 3.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -93.96 179.57 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -88.06 133.53 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -139.8 166.5 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.16 -29.5 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' PHE . 84.1 m-85 -115.46 -53.68 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' TYR . 14.1 m-85 -37.39 124.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.488 ' CG ' HD23 ' A' ' 20' ' ' LEU . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 15' ' ' MET . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG13 ' CG ' ' A' ' 144' ' ' HIS . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CG ' HD12 ' A' ' 73' ' ' LEU . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t -69.06 121.0 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 m -48.95 -48.94 42.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 -164.67 25.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' LYS . 58.4 t-20 -117.98 96.42 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.6 tptt -34.18 -42.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LYS . 90.3 m -36.71 -57.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.564 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.451 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.3 t30 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.519 HD12 ' CG ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.425 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASP . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.508 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.523 HD13 ' CE1' ' A' ' 130' ' ' PHE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.549 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.44 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.544 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.458 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.46 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 159' ' ' ALA . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.444 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 169' ' ' THR . 67.8 mtp -125.9 103.84 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -127.47 103.84 22.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.737 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.637 ' CG ' ' CZ ' ' A' ' 175' ' ' PHE . 53.5 Cg_endo -69.84 3.39 2.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 62.05 54.96 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.637 ' CZ ' ' CG ' ' A' ' 173' ' ' PRO . 23.6 m-85 -51.47 -39.03 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 175' ' ' PHE . 20.1 mm-40 -34.01 -37.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 16.0 t30 -82.2 141.62 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -42.98 97.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -151.72 130.48 12.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -151.38 151.94 32.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 11.0 mt 72.4 30.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 17.2 t -127.41 -28.66 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 3.4 t -57.07 147.54 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 70.7 p -139.42 144.05 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -85.9 39.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 17.6 mt -111.54 -41.58 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 189' ' ' SER . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 8.0 mm-40 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -130.88 -35.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -64.34 -58.2 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 126.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.32 -60.22 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 139.17 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.35 81.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.07 167.08 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -83.09 124.44 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 p -130.69 167.96 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -103.47 -38.08 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.02 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -39.84 157.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 ' CD2' ' ND2' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' N ' HG13 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' CG ' ' A' ' 144' ' ' HIS . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD21 ' C ' ' A' ' 147' ' ' ARG . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.453 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.37 99.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -40.24 123.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -80.67 121.29 5.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 41.7 t-20 -35.99 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.1 tptt -34.77 -39.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.9 m -37.09 -55.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.488 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 37' ' ' PHE . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 85' ' ' GLY . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.469 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.445 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.497 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 130' ' ' PHE . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.452 ' CB ' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.514 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.514 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 17' ' ' LEU . 4.8 m120 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.419 HG21 ' CD ' ' A' ' 28' ' ' PRO . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.455 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 138' ' ' PHE . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.401 ' C ' HD21 ' A' ' 43' ' ' LEU . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.511 HG22 ' CG ' ' A' ' 152' ' ' HIS . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 6.6 mtp -120.5 87.11 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -72.33 125.38 91.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 174' ' ' ASP . 53.9 Cg_endo -69.73 158.94 55.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 173' ' ' PRO . 13.8 m-20 -174.98 150.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.05 -27.0 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.72 -10.55 37.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.31 23.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 67.26 54.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 174' ' ' ASP . 0.4 OUTLIER -155.12 137.04 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.489 ' CE2' ' HG ' ' A' ' 181' ' ' LEU . 3.7 t80 -76.94 -175.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 180' ' ' PHE . 4.4 mt -39.11 149.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.5 m -98.97 32.63 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.2 t -73.82 71.06 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 50.1 p -130.38 137.5 49.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -86.08 45.21 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 187' ' ' HIS . 10.8 mt -129.32 -48.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 186' ' ' ILE . 70.6 m-70 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.456 ' CD1' HD12 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.448 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.454 ' NE2' HG21 ' A' ' 208' ' ' VAL . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.454 HG21 ' NE2' ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -130.51 159.6 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -42.45 137.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.1 -171.85 21.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.3 m -37.25 -61.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.857 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.88 -60.2 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.17 -46.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -97.7 173.92 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.7 115.42 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 77.9 p -119.73 173.57 6.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.2 -35.38 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -112.63 -46.45 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 8.2 m-85 -43.67 148.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG12 ' CG ' ' A' ' 144' ' ' HIS . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 52' ' ' SER . 88.8 t -67.35 136.3 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 51' ' ' VAL . 34.5 t -41.36 -44.78 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . 91.53 106.22 1.46 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLY . 41.0 t30 -36.89 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.84 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' THR . 12.7 tptp -51.89 -44.26 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 m -35.1 -59.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.473 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.475 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.52 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 130' ' ' PHE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.474 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.522 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 103' ' ' LEU . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.436 ' ND2' HD21 ' A' ' 17' ' ' LEU . 11.1 m120 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.513 ' CG ' HG12 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.489 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.49 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.477 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.477 HG21 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.415 ' O ' ' CD ' ' A' ' 168' ' ' PRO . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.489 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp -134.44 109.51 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -105.45 94.9 9.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -130.56 126.84 37.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.57 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 8.1 m-85 -114.57 -32.36 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' PHE . 38.6 mt-10 -37.31 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 175' ' ' PHE . 82.6 m-20 -116.79 -60.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 178' ' ' ARG . 0.0 OUTLIER -72.16 164.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.99 101.84 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.54 ' HB2' ' CD1' ' A' ' 175' ' ' PHE . 3.8 t80 -43.28 -37.78 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.83 -43.79 90.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.4 t -133.74 85.5 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.6 -56.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.404 HG22 ' CD1' ' A' ' 108' ' ' LEU . 21.2 p -126.83 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? 62.23 38.92 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.433 ' HB ' ' CD2' ' A' ' 108' ' ' LEU . 39.6 mt -134.18 -38.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.534 ' CE1' HD23 ' A' ' 108' ' ' LEU . 50.3 m-70 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 7.8 mm-40 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.474 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.436 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -125.97 105.3 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -123.94 111.01 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.77 -149.85 6.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.6 t -160.2 176.15 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 25.4 m -34.48 -54.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -48.49 3.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.95 173.63 12.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -89.12 140.69 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -145.0 -177.74 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.56 -32.31 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -106.24 -52.34 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.62 142.94 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG11 ' CG ' ' A' ' 144' ' ' HIS . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.407 ' C ' ' HA ' ' A' ' 155' ' ' ASN . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.471 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t -85.16 124.78 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -39.24 -45.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.08 147.08 20.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' LYS . 27.9 t30 -65.75 89.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -34.46 -55.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' LYS . 37.6 m -30.96 -50.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.4 t30 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.448 HD11 ' CB ' ' A' ' 37' ' ' PHE . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASP . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 HD11 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.471 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 130' ' ' PHE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.49 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.494 HD12 ' CE1' ' A' ' 187' ' ' HIS . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 122' ' ' ALA . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 115' ' ' ASP . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.413 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' A' ' 110' ' ' ALA . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 103' ' ' LEU . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.434 ' ND2' HD23 ' A' ' 17' ' ' LEU . 8.4 m120 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG11 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 195' ' ' ILE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.407 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.514 HG23 ' CG ' ' A' ' 152' ' ' HIS . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.411 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.505 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 33.2 mtp -150.96 118.86 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -92.32 136.0 26.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 54.0 Cg_endo -69.71 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.4 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 2.3 m-20 -137.48 106.99 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 24.0 m-85 -98.49 -33.95 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -39.26 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 49.7 t30 -102.77 132.44 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -122.5 102.27 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 180' ' ' PHE . 7.8 pt-20 -173.11 115.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 179' ' ' GLU . 10.4 t80 -36.38 -50.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 178.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 56.71 34.96 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 9.0 t -90.04 121.07 31.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 28.7 p -92.71 -70.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.6 tptm 55.16 38.91 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 187' ' ' HIS . 47.0 mt -110.69 -38.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.494 ' CE1' HD12 ' A' ' 108' ' ' LEU . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 189' ' ' SER . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.419 ' CD1' HD11 ' A' ' 145' ' ' LEU . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.458 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.407 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -75.33 127.93 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -127.71 153.66 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.31 69.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -91.35 105.22 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -137.57 148.33 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.62 -45.53 12.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.5 p90 -107.46 173.03 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.78 134.21 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -138.89 174.44 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -112.35 -34.66 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -106.77 -52.56 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 -46.15 152.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG13 ' CG ' ' A' ' 144' ' ' HIS . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' CG ' HD13 ' A' ' 73' ' ' LEU . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -78.37 126.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -44.66 -40.77 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . 84.43 110.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' GLY . 45.5 t30 -34.5 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' THR . 10.8 tptp -40.02 -43.73 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.3 m -35.1 -59.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD13 ' CG ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' PRO . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.698 ' CE1' ' CE1' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.494 HD13 ' CE1' ' A' ' 130' ' ' PHE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.698 ' CE1' ' CE1' ' A' ' 101' ' ' TYR . 2.7 m170 -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.421 ' CG ' ' HB3' ' A' ' 115' ' ' ASP . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.526 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.445 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.404 HG21 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.428 HG22 ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.508 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.428 ' NH1' HG22 ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.2 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.506 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.455 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.441 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 169' ' ' THR . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp -140.63 109.9 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -82.56 117.01 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.248 . . . . 0.0 112.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.59 107.2 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.43 -36.82 3.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -37.92 -33.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -56.12 173.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.89 74.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.25 138.66 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.44 -179.31 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.3 mt 59.5 44.23 15.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 183' ' ' THR . 22.1 m -129.56 -38.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 182' ' ' SER . 0.1 OUTLIER -36.71 116.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 42.0 p -93.14 -41.93 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 184' ' ' THR . 0.3 OUTLIER 48.01 37.55 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 50.7 mt -114.97 -35.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.417 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.462 ' NE2' HG23 ' A' ' 208' ' ' VAL . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.462 HG23 ' NE2' ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -52.63 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 m -75.69 112.43 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.6 88.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 m -90.42 88.31 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.07 157.31 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.29 -40.83 99.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -107.6 161.28 15.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.703 0.287 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.3 116.23 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p -124.68 158.01 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -101.38 -27.76 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 4.3 t80 -112.99 -54.01 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.67 164.54 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' CZ ' ' A' ' 12' ' ' TYR . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG12 ' CG ' ' A' ' 144' ' ' HIS . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CE1' HG23 ' A' ' 41' ' ' THR . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.462 HG23 ' CE1' ' A' ' 37' ' ' PHE . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 52' ' ' SER . 44.7 t -71.62 140.47 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.429 ' N ' HG13 ' A' ' 51' ' ' VAL . 56.2 p -58.33 -47.92 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.28 145.85 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -64.86 92.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.8 tptt -38.69 -42.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' LYS . 98.0 m -35.18 -55.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.47 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.433 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.456 ' HG2' ' CD1' ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.473 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 100' ' ' PRO . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.486 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.518 ' CG ' HG12 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.462 ' CG ' HG23 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.462 HG23 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.419 HG12 ' CD ' ' A' ' 188' ' ' GLN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.527 ' CE2' HD22 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.531 ' CE ' ' CG ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -127.47 101.94 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 23.8 mtm180 -109.19 96.01 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 172' ' ' ARG . 53.6 Cg_endo -69.77 137.78 36.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.22 82.86 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 176' ' ' GLU . 73.9 m-85 -126.95 -45.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 175' ' ' PHE . 5.3 mp0 30.36 50.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -94.58 -57.87 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.55 175.63 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -122.33 21.81 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 180' ' ' PHE . 1.8 t80 -126.38 -52.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.408 ' CD2' ' H ' ' A' ' 181' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.0 p -61.37 -18.01 56.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 14.6 t -67.86 128.22 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.13 -53.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.37 28.01 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.67 -31.7 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.42 ' ND1' ' SD ' ' A' ' 171' ' ' MET . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.419 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 189' ' ' SER . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.554 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.46 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.2 t-20 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -126.94 147.43 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -132.72 101.59 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.57 107.67 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -159.77 150.97 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -53.56 162.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -42.77 23.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' CE3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -81.94 169.0 17.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -126.35 161.11 28.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.45 -35.6 8.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -109.85 -53.58 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 -40.44 125.2 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.496 ' CG ' HD21 ' A' ' 20' ' ' LEU . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 15' ' ' MET . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.497 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.563 HD11 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG13 ' CG ' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.519 ' CG ' HD11 ' A' ' 73' ' ' LEU . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' SER . 74.4 t -72.59 119.95 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' VAL . 29.7 t -34.86 -61.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . 103.68 118.94 4.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -42.55 94.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -39.87 -44.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 62.8 m -37.87 -54.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 69' ' ' HIS . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 11.8 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.519 HD11 ' CG ' ' A' ' 37' ' ' PHE . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.525 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.404 ' CD2' ' CD2' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 122' ' ' ALA . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.503 HG21 ' CD2' ' A' ' 121' ' ' HIS . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.42 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.503 ' CD2' HG21 ' A' ' 117' ' ' THR . 9.5 m-70 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.402 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.539 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.539 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.423 HG21 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.553 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 144' ' ' HIS . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.444 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.57 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.488 HG23 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.439 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp -123.16 100.36 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -92.73 110.74 47.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 160.82 48.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -133.6 36.0 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.82 -39.47 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 39.88 43.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -127.81 179.5 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -132.11 93.83 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -157.34 137.08 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -66.7 -28.79 68.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.46 -47.97 24.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.8 t -60.96 -66.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 12.4 t -49.46 140.72 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.437 ' OG1' ' CD2' ' A' ' 187' ' ' HIS . 66.6 p -123.91 119.33 29.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -81.54 42.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.406 ' CG2' ' HB2' ' A' ' 111' ' ' ALA . 27.9 mt -118.38 -38.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.437 ' CD2' ' OG1' ' A' ' 184' ' ' THR . 11.8 m170 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.426 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 10.3 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.43 ' CB ' HD22 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 194' ' ' PHE . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.413 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -113.31 109.43 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -57.45 -49.82 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.44 159.22 21.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -78.71 -48.55 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -85.57 -54.14 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.85 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.84 159.12 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.289 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.1 mp0 -66.3 123.72 20.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 p -135.05 164.91 26.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -108.06 -36.76 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -106.31 -51.44 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -46.72 141.97 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' LEU . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG13 ' CG ' ' A' ' 144' ' ' HIS . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t -72.02 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.8 m -48.82 -49.58 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.56 123.46 3.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -45.43 119.29 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -60.63 -47.22 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 28.4 m -35.71 -46.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' VAL . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CE1' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.512 HD21 ' CE1' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.46 ' CD1' ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.509 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 130' ' ' PHE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.7 m170 -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.5 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.512 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.512 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.561 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.561 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.496 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.559 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.514 HG23 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.496 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 169' ' ' THR . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 28.9 mtp -136.21 110.54 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.444 ' NE ' ' HB3' ' A' ' 97' ' ' PRO . 1.4 mpt_? -89.66 138.43 28.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.829 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.58 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -138.15 122.31 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.55 -35.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.32 -26.12 65.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -110.23 -44.0 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.95 122.04 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -113.47 22.03 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.629 ' CD2' HD22 ' A' ' 181' ' ' LEU . 1.5 t80 -112.03 175.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.629 HD22 ' CD2' ' A' ' 180' ' ' PHE . 3.5 mm? -48.2 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.0 t -122.31 48.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.13 95.12 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 41.5 p -139.21 116.32 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.5 pmtp? -113.29 39.25 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 187' ' ' HIS . 20.3 mt -114.27 -44.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.416 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.478 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.439 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -118.69 144.11 46.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -93.2 85.97 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.58 67.3 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -58.84 -53.29 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -120.04 161.9 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.37 -47.2 29.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.37 166.32 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.11 121.39 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -126.42 160.53 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -112.96 -35.03 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -118.38 -42.66 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -49.33 145.57 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG11 ' CG ' ' A' ' 144' ' ' HIS . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CB ' HD11 ' A' ' 73' ' ' LEU . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.538 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.7 125.78 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -50.13 -44.73 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.58 151.62 11.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' LYS . 40.3 t-20 -57.67 90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -35.55 -43.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' LYS . 95.9 m -35.88 -56.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.3 t30 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 37' ' ' PHE . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.538 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.48 ' CE1' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.48 HD21 ' CE1' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.438 ' CD1' ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.5 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD12 ' CE1' ' A' ' 130' ' ' PHE . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.483 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.483 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.411 ' CD2' ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.561 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.561 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.429 ' ND2' HD22 ' A' ' 17' ' ' LEU . 5.9 m120 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.417 HG21 ' CD ' ' A' ' 28' ' ' PRO . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.48 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.494 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.48 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.502 ' CG ' HG11 ' A' ' 35' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.564 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.505 ' CG ' HG23 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.505 HG23 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 169' ' ' THR . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 169' ' ' THR . 25.3 mtp -139.93 113.72 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -88.18 138.54 30.61 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.448 ' CG ' ' CE2' ' A' ' 175' ' ' PHE . 53.3 Cg_endo -69.8 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 174' ' ' ASP . 0.2 OUTLIER -134.77 66.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 173' ' ' PRO . 33.3 m-85 -84.08 -54.76 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -47.04 -41.27 16.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -44.17 157.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 178' ' ' ARG . 5.7 mmm180 -57.1 -41.03 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -92.08 100.68 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.653 ' C ' ' CD1' ' A' ' 180' ' ' PHE . 0.0 OUTLIER -77.03 -32.88 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 181' ' ' LEU . 4.6 mm? -67.87 -34.55 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 183' ' ' THR . 40.4 t -40.68 -35.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 182' ' ' SER . 8.7 t -34.86 135.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 187' ' ' HIS . 30.6 p -119.29 112.28 19.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 186' ' ' ILE . 45.8 mttm -60.07 -37.62 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.447 ' O ' ' C ' ' A' ' 187' ' ' HIS . 20.4 mt -34.92 -37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 184' ' ' THR . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 189' ' ' SER . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.557 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.46 HD12 ' CD1' ' A' ' 145' ' ' LEU . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.431 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.419 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . 0.494 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -128.37 109.71 11.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -121.13 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.14 -155.05 13.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -47.03 170.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -55.68 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -51.38 1.82 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.8 174.58 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.692 0.282 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.11 136.96 37.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -134.83 159.4 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -94.02 -27.67 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CE2' HD23 ' A' ' 20' ' ' LEU . 2.2 t80 -110.06 -52.62 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -58.72 161.78 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD23 ' CE2' ' A' ' 12' ' ' TYR . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.448 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 144' ' ' HIS . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -72.64 132.65 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -52.87 -58.01 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.14 130.35 2.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -41.85 97.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -40.98 -43.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' LYS . 52.5 m -34.24 -57.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' ALA . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' PRO . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CE1' ' CD2' ' A' ' 101' ' ' TYR . 2.9 m170 -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.416 ' N ' HG23 ' A' ' 113' ' ' ILE . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.475 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 121' ' ' HIS . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.445 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.553 ' CD2' HG21 ' A' ' 117' ' ' THR . 27.4 m-70 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.534 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 106' ' ' GLU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 103' ' ' LEU . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.513 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.513 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.438 HG22 ' CD ' ' A' ' 28' ' ' PRO . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.506 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.424 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.506 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.519 ' CG ' HG12 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.439 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.418 HG21 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.454 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 169' ' ' THR . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.7 mtp -123.51 95.98 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -77.73 113.71 34.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.451 ' HG2' ' CE1' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.77 3.82 2.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.77 51.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.451 ' CE1' ' HG2' ' A' ' 173' ' ' PRO . 16.4 m-85 -45.64 -50.09 13.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 175' ' ' PHE . 3.3 mp0 -34.94 -45.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -93.08 168.29 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -118.15 143.75 46.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -149.38 131.82 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.65 -55.18 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.99 59.9 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.8 t -113.6 27.05 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.6 87.18 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 31.6 p -125.32 123.64 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.97 40.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt -116.29 -41.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.476 ' HA ' ' NE2' ' A' ' 197' ' ' GLN . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 36.4 mm-40 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.534 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . 0.424 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.512 ' N ' ' CG2' ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -165.22 141.94 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -105.28 106.23 16.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 -78.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 61.64 41.06 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.13 37.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 -53.94 3.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -104.69 172.79 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.35 120.99 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -125.33 -177.37 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -122.07 -31.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.6 -51.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 -49.3 140.33 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 29' ' ' LEU . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.512 HG12 ' CG ' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CD2' HG22 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.37 119.96 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -46.93 -48.01 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.43 127.63 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -48.43 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' THR . 7.2 tptm -38.81 -43.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 89.4 m -35.58 -56.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.442 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.466 ' HG3' ' CE ' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 10.0 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 3.3 t30 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.466 ' CE ' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 83' ' ' VAL . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 79' ' ' THR . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG22 ' CD2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 97' ' ' PRO . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.498 HD11 ' CE1' ' A' ' 130' ' ' PHE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.2 m170 -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.479 HD13 ' CE1' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 186' ' ' ILE . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.437 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 15.6 m120 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.558 HD22 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.3 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.512 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.512 HG21 ' CG ' ' A' ' 152' ' ' HIS . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.558 ' CZ ' HD22 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 169' ' ' THR . 37.7 mmm -131.54 106.62 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.8 112.92 36.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -129.45 91.67 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 176' ' ' GLU . 59.8 m-85 -102.81 -45.35 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 175' ' ' PHE . 68.4 mt-10 -34.31 -38.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 175' ' ' PHE . 8.2 m120 -118.5 167.08 11.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -146.42 108.8 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.47 22.14 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 180' ' ' PHE . 67.3 t80 42.14 41.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 93.0 mt -156.97 149.28 23.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 t 66.89 43.68 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.6 94.93 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.172 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 82.1 p -119.87 155.05 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.82 41.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt -106.49 -38.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.479 ' CE1' HD13 ' A' ' 108' ' ' LEU . 19.2 m-70 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.436 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.406 HG21 ' NE2' ' A' ' 197' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 63.86 42.24 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -83.36 -52.57 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.16 159.66 53.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -79.31 -47.38 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.2 m -56.18 141.44 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.2 -40.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -108.29 163.41 13.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.947 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.85 122.96 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.6 p -130.0 157.84 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.69 -33.33 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -108.05 -52.44 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.96 158.13 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' LEU . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG13 ' CG ' ' A' ' 144' ' ' HIS . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 147' ' ' ARG . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.511 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' SER . 98.6 t -72.91 114.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t -36.63 -43.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.24 125.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -41.29 98.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -44.85 -39.0 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m -40.59 -53.21 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 4.5 t30 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 37' ' ' PHE . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.465 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 130' ' ' PHE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 122' ' ' ALA . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.513 HG21 ' CD2' ' A' ' 121' ' ' HIS . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 117' ' ' THR . 25.4 m-70 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 110' ' ' ALA . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.566 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.566 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.456 HG11 ' CA ' ' A' ' 18' ' ' GLN . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.446 ' ND2' HD21 ' A' ' 17' ' ' LEU . 6.5 m120 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.432 HG22 ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.432 ' NH1' HG22 ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.503 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.503 HG21 ' CG ' ' A' ' 152' ' ' HIS . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . 0.456 HG12 ' NE2' ' A' ' 188' ' ' GLN . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.43 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp -130.94 107.22 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -85.4 120.54 73.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.73 113.58 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.51 -48.43 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.62 44.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.85 164.77 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -52.51 -30.33 29.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 180' ' ' PHE . 29.7 mt-10 -85.97 23.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 179' ' ' GLU . 8.0 t80 -35.49 -53.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 22.0 mt -78.2 67.03 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 183' ' ' THR . 3.6 m -129.96 -36.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 182' ' ' SER . 47.0 p -36.25 124.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 70.0 p -137.9 149.3 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 185' ' ' LYS . 0.0 OUTLIER -81.95 17.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 187' ' ' HIS . 10.3 mt -95.35 -43.36 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 98.0 m-70 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.456 ' NE2' HG12 ' A' ' 164' ' ' ILE . 11.1 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 189' ' ' SER . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.462 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.46 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.8 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.47 HG21 ' NE2' ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -147.22 177.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -146.09 132.51 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -73.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -127.51 -46.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -145.45 130.26 18.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.16 -39.42 12.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -100.98 161.21 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -90.88 142.65 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -147.41 168.22 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -93.65 -29.77 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.466 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 89.1 t80 -107.09 -51.56 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -61.13 154.31 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' N ' HG12 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 12' ' ' TYR . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 144' ' ' HIS . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CD2' ' HG ' ' A' ' 48' ' ' LEU . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.82 127.31 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.2 p -45.52 -45.78 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.09 143.83 6.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.05 98.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -38.97 -44.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' LYS . 91.0 m -34.63 -56.72 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.5 t30 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.446 ' CE ' ' OD1' ' A' ' 60' ' ' ASN . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CZ ' HD22 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.474 HD22 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.55 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.522 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.529 ' CE1' HD11 ' A' ' 103' ' ' LEU . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.514 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 18' ' ' GLN . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.512 ' CE2' HG13 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CG ' HG21 ' A' ' 158' ' ' THR . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.489 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.504 HG21 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.433 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.55 ' CE1' HD23 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 104' ' ' HIS . 55.2 mtp -122.73 90.72 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -66.6 118.16 51.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.409 ' C ' ' OD1' ' A' ' 174' ' ' ASP . 54.2 Cg_endo -69.74 179.28 3.8 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.715 2.276 . . . . 0.0 112.395 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 0.2 OUTLIER -175.21 147.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 176' ' ' GLU . 43.0 m-85 -129.43 -41.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 175' ' ' PHE . 42.8 mt-10 -36.75 -72.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.88 -177.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.424 ' C ' ' HG2' ' A' ' 179' ' ' GLU . 23.9 mmt180 -45.83 105.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.424 ' HG2' ' C ' ' A' ' 178' ' ' ARG . 34.0 mm-40 -150.18 131.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.573 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.2 t80 -88.86 -173.6 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.573 HD23 ' CE2' ' A' ' 180' ' ' PHE . 3.5 mm? -53.45 154.99 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 99.0 p -96.75 44.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.7 t -106.37 55.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 44.4 p -130.61 120.91 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -92.28 -28.44 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 187' ' ' HIS . 14.6 mt -49.22 -46.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 5.2 m-70 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 189' ' ' SER . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.542 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.433 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.428 ' NE2' HG21 ' A' ' 208' ' ' VAL . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.542 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.428 HG21 ' NE2' ' A' ' 197' ' ' GLN . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -52.36 117.96 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -76.83 151.95 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 47.03 10.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -81.55 47.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -144.49 135.85 25.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.66 8.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -101.16 164.52 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.03 113.37 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -118.71 -178.19 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -111.92 -30.46 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.03 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.08 148.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 17' ' ' LEU . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' C ' ' O ' ' A' ' 29' ' ' LEU . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' CG ' ' A' ' 144' ' ' HIS . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 148' ' ' VAL . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' HB2' ' CD2' ' A' ' 162' ' ' LEU . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 79.0 t -67.97 138.09 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' N ' HG13 ' A' ' 51' ' ' VAL . 25.7 p -65.74 -34.85 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.41 140.96 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -52.24 101.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -41.32 -41.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m -39.24 -49.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG21 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.435 ' N ' HG21 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.465 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' ASP . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 97' ' ' PRO . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.505 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 130' ' ' PHE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.505 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 118' ' ' GLU . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.497 HG23 ' CD2' ' A' ' 121' ' ' HIS . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.434 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.529 HD23 ' CZ ' ' A' ' 201' ' ' PHE . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.497 ' CD2' HG23 ' A' ' 117' ' ' THR . 19.1 m-70 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.425 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.56 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.432 HG23 ' CD ' ' A' ' 28' ' ' PRO . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.555 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 43' ' ' LEU . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.573 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.514 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.448 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.455 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 166' ' ' PHE . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp -126.03 106.9 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -112.49 96.67 37.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -126.3 35.2 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -64.87 -45.62 85.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 63.79 39.75 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.92 113.39 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 182' ' ' SER . 6.4 tpt180 -84.88 51.54 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.53 -10.66 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.601 ' CD2' HD23 ' A' ' 181' ' ' LEU . 1.5 t80 -152.22 -179.91 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.601 HD23 ' CD2' ' A' ' 180' ' ' PHE . 2.9 mm? -54.64 144.13 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.407 ' HB2' ' NH2' ' A' ' 178' ' ' ARG . 15.4 t -61.07 -31.85 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 10.9 t -66.88 137.26 56.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.48 -60.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 58.34 38.9 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 187' ' ' HIS . 18.4 mt -123.64 -49.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.448 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 201' ' ' PHE . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.491 ' CD1' HD11 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.36 82.91 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m 54.49 42.64 31.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 103.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -71.97 100.09 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t 61.45 37.17 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.0 3.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -89.91 167.68 12.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.16 133.84 37.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -143.8 162.08 36.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -107.51 -28.94 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 2.3 t80 -107.51 -52.83 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.03 159.01 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 20' ' ' LEU . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' N ' HG13 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 HG13 ' CG ' ' A' ' 144' ' ' HIS . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.507 ' CD2' HG22 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 39' ' ' GLU . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CE1' HD23 ' A' ' 48' ' ' LEU . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.03 140.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -96.6 121.21 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -78.51 142.4 25.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 55' ' ' LYS . 64.4 t-20 -34.44 110.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.656 ' HZ2' ' NE2' ' A' ' 58' ' ' GLN . 8.4 tptp -34.14 -44.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' LYS . 25.3 m -35.3 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.656 ' NE2' ' HZ2' ' A' ' 55' ' ' LYS . 29.3 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 37' ' ' PHE . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.412 HG21 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' N ' HG21 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.507 HG22 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' O ' ' NH2' ' A' ' 172' ' ' ARG . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.466 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 104' ' ' HIS . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 117' ' ' THR . 19.2 m-70 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 106' ' ' GLU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.538 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 18' ' ' GLN . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.441 ' ND2' HD22 ' A' ' 17' ' ' LEU . 10.2 m120 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.46 HG22 ' CD ' ' A' ' 28' ' ' PRO . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.528 HD12 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.469 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.586 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.586 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.518 HG21 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.457 ' HB1' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp -120.37 58.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 171' ' ' MET . 64.8 mtt180 -33.64 96.71 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.441 ' HG3' ' CH2' ' A' ' 167' ' ' TRP . 53.9 Cg_endo -69.7 139.39 40.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.73 58.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 176' ' ' GLU . 11.3 m-85 -119.99 -37.47 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.553 ' OE2' ' CZ ' ' A' ' 180' ' ' PHE . 48.0 mm-40 -34.43 -43.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.456 ' HB2' ' NH1' ' A' ' 178' ' ' ARG . 9.4 ttm105 -70.7 -179.15 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 178' ' ' ARG . 47.0 mm-40 -33.85 99.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CZ ' ' OE2' ' A' ' 176' ' ' GLU . 5.2 t80 -99.24 179.18 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.1 mt 66.46 32.59 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 2.0 t -173.01 105.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 184' ' ' THR . 5.3 t -162.7 137.32 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 183' ' ' THR . 81.0 p -33.55 -49.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt 73.76 27.59 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt -102.38 -33.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.553 ' CE1' HD11 ' A' ' 108' ' ' LEU . 13.8 m-70 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.457 ' CG ' ' HB1' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 207' ' ' ILE . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -80.91 177.42 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -132.75 -43.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.22 59.69 6.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -109.51 142.68 40.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -63.97 166.5 7.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.2 -41.14 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.553 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.3 p90 -105.19 169.54 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.95 134.13 34.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -139.94 176.14 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -119.16 -35.38 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.421 ' CE2' HD23 ' A' ' 20' ' ' LEU . 17.6 t80 -102.19 -32.67 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -80.27 122.83 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.476 ' CG ' HD22 ' A' ' 20' ' ' LEU . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' LEU . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' CD ' HG21 ' A' ' 137' ' ' VAL . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG13 ' CG ' ' A' ' 144' ' ' HIS . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 48' ' ' LEU . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t -71.54 126.67 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -47.55 -43.63 25.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.62 134.51 2.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 t30 -53.61 93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' ASN . 3.1 tptm -35.04 -43.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 93.0 m -36.01 -56.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 37' ' ' PHE . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.453 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' CE1' HD23 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.5 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.499 HD12 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' CD2' ' HB ' ' A' ' 186' ' ' ILE . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.552 HG23 ' CD2' ' A' ' 121' ' ' HIS . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.552 ' CD2' HG23 ' A' ' 117' ' ' THR . 21.0 m-70 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.443 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.548 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.454 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 10.5 m120 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.434 HG21 ' CD ' ' A' ' 28' ' ' PRO . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.532 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.519 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.514 ' CG ' HG21 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CZ ' HD23 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp -133.14 49.97 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 171' ' ' MET . 9.8 ptm180 -33.87 139.46 0.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.712 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.45 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 12.0 t0 74.99 40.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.16 -21.99 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 54.25 50.23 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 178' ' ' ARG . 13.2 t-20 -133.57 173.45 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 177' ' ' ASN . 6.2 tpt180 -33.72 119.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -66.77 -13.5 61.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -89.23 -36.81 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.7 mt -87.95 -49.18 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 184' ' ' THR . 39.4 t -38.72 -41.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 183' ' ' THR . 9.0 t -51.17 85.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 182' ' ' SER . 16.0 p -137.31 132.72 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -100.79 35.91 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . 0.466 HG21 ' CG2' ' A' ' 190' ' ' VAL . 2.8 mm -91.96 -51.2 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.469 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.9 m-70 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . 0.466 ' CG2' HG21 ' A' ' 186' ' ' ILE . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 198' ' ' CYS . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 201' ' ' PHE . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 32.6 mm-40 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.408 HG21 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . 0.437 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.13 42.89 21.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -107.97 82.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.5 110.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -81.51 -43.76 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.34 -45.93 61.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.98 -43.03 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -77.96 165.13 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.282 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.27 117.53 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -117.74 125.72 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.28 -33.57 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -119.33 -46.65 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -51.36 152.12 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' HA ' ' CG1' ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.52 HG11 ' CG ' ' A' ' 144' ' ' HIS . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' CD1' ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 HD22 ' C ' ' A' ' 147' ' ' ARG . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE1' HD21 ' A' ' 48' ' ' LEU . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.445 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.57 129.57 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -62.24 125.4 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -75.44 111.25 3.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' GLY . 31.8 t-20 -34.41 101.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -34.31 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -40.8 -56.49 2.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.556 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.429 ' CE1' HD22 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 97' ' ' PRO . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.52 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 104' ' ' HIS . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.482 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.448 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HG3' ' CB ' ' A' ' 115' ' ' ASP . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.412 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.543 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.543 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.532 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . 0.532 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.434 ' CG1' ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.469 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.52 ' CG ' HG11 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.407 ' C ' HD22 ' A' ' 43' ' ' LEU . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.539 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.539 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.488 HG21 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.505 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp -150.92 117.59 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -94.64 128.82 38.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.461 ' HD3' ' CH2' ' A' ' 167' ' ' TRP . 53.5 Cg_endo -69.83 0.29 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.49 51.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' GLU . 0.3 OUTLIER -66.62 -40.94 89.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' PHE . 31.6 mt-10 -38.15 -35.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -84.93 147.34 26.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 179' ' ' GLU . 51.0 mtm-85 -70.35 -38.81 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 178' ' ' ARG . 36.7 mt-10 -34.58 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -101.76 177.81 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.0 mt 53.94 39.71 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 183' ' ' THR . 17.6 m -123.9 -38.89 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 182' ' ' SER . 1.0 OUTLIER -37.66 135.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 23.5 p -86.05 -11.54 52.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 184' ' ' THR . 5.4 pttp 46.53 26.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 40.8 mt -101.53 -37.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.564 ' CE1' HD12 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' PHE . . . . . 0.434 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' ILE . . . . . 0.448 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.998 HD23 HG12 ' A' ' 133' ' ' VAL . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 136' ' ' ASP . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 38' ' ' ILE . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' HG21 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.736 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.409 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' VAL . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.736 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.438 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' HIS . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.497 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' A' ' 187' ' ' HIS . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HB2' HG21 ' A' ' 113' ' ' ILE . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.521 HG22 ' HE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.998 HG12 HD23 ' A' ' 17' ' ' LEU . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.521 ' HE1' HG22 ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.583 ' O ' HD11 ' A' ' 27' ' ' ILE . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.591 HG22 ' SG ' ' A' ' 198' ' ' CYS . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.465 ' CG ' HG13 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.674 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.549 ' HG3' HD12 ' A' ' 154' ' ' ILE . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.458 ' HB2' HG23 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.674 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.6 HG22 HG23 ' A' ' 190' ' ' VAL . 15.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.6 HG23 HG22 ' A' ' 186' ' ' ILE . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 195' ' ' ILE . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.591 ' SG ' HG22 ' A' ' 142' ' ' ILE . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.1 OUTLIER 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.526 0.031 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 133' ' ' VAL . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 136' ' ' ASP . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' ' 35' ' ' VAL . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 31' ' ' VAL . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CD2' HG21 ' A' ' 83' ' ' VAL . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 35' ' ' VAL . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 80' ' ' VAL . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.532 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' H ' HG23 ' A' ' 79' ' ' THR . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 37' ' ' PHE . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.716 HD12 ' HG3' ' A' ' 171' ' ' MET . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 126' ' ' ILE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.503 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 186' ' ' ILE . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.524 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.6 HG23 HD22 ' A' ' 103' ' ' LEU . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.564 HG12 HD23 ' A' ' 17' ' ' LEU . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 7.0 m-80 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.596 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 141' ' ' VAL . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 137' ' ' VAL . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.484 HG22 ' SG ' ' A' ' 198' ' ' CYS . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.438 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.529 HG22 HD11 ' A' ' 43' ' ' LEU . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' ' 164' ' ' ILE . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 161' ' ' ASN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.733 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.716 ' HG3' HD12 ' A' ' 99' ' ' ILE . 27.4 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.523 HG22 HG23 ' A' ' 190' ' ' VAL . 28.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' A' ' 108' ' ' LEU . 10.7 m80 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.519 ' HG2' HD21 ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 142' ' ' ILE . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 204' ' ' ASN . 0.7 OUTLIER 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.594 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' LEU . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 HG13 ' A' ' 133' ' ' VAL . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 136' ' ' ASP . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 31' ' ' VAL . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' VAL . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' PHE . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' OH ' HD13 ' A' ' 38' ' ' ILE . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.496 ' SD ' HD23 ' A' ' 73' ' ' LEU . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 81' ' ' ASN . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.552 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 31' ' ' VAL . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 130' ' ' PHE . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 126' ' ' ILE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.518 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' A' ' 187' ' ' HIS . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.488 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.587 HG21 ' HB2' ' A' ' 118' ' ' GLU . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 197' ' ' GLN . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.529 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.594 HG11 ' CA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.523 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.461 ' CG ' HG13 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 162' ' ' LEU . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.591 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.591 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.471 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 15.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.46 ' HB ' HD22 ' A' ' 108' ' ' LEU . 68.4 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.652 ' CD2' HD21 ' A' ' 108' ' ' LEU . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 3.6 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.488 HG22 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 195' ' ' ILE . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.509 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 192' ' ' GLU . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.419 ' HG3' HD21 ' A' ' 120' ' ' LEU . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 38' ' ' ILE . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 83' ' ' VAL . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.77 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.684 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.77 ' OH ' HD13 ' A' ' 38' ' ' ILE . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 73' ' ' LEU . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.703 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.535 HD12 ' HG3' ' A' ' 171' ' ' MET . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.747 HD22 HG23 ' A' ' 126' ' ' ILE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 186' ' ' ILE . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 119' ' ' ARG . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.747 HG23 HD22 ' A' ' 103' ' ' LEU . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.558 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.607 ' CE1' HD11 ' A' ' 142' ' ' ILE . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.607 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 166' ' ' PHE . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.494 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.494 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 164' ' ' ILE . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 145' ' ' LEU . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 161' ' ' ASN . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.535 ' HG3' HD12 ' A' ' 99' ' ' ILE . 67.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.536 HG22 HG23 ' A' ' 190' ' ' VAL . 17.6 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 186' ' ' ILE . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.468 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 145' ' ' LEU . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 10.8 mm100 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.825 HD22 ' OD1' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CA ' HG11 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 28' ' ' PRO . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' VAL . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CB ' HD12 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' HD13 ' A' ' 38' ' ' ILE . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HB1' ' A' ' 82' ' ' ALA . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.559 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' HD23 ' A' ' 73' ' ' LEU . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 61' ' ' ILE . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD13 ' A' ' 61' ' ' ILE . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.568 HD12 ' HG3' ' A' ' 171' ' ' MET . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.448 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' HIS . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.473 HD21 ' CE1' ' A' ' 187' ' ' HIS . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' A' ' 118' ' ' GLU . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.652 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 113' ' ' ILE . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.523 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.825 ' OD1' HD22 ' A' ' 17' ' ' LEU . 16.4 m-80 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.566 HG22 ' SG ' ' A' ' 198' ' ' CYS . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.414 HG12 ' CD ' ' A' ' 188' ' ' GLN . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.568 ' HG3' HD12 ' A' ' 99' ' ' ILE . 6.6 mtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.577 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CE1' HD21 ' A' ' 108' ' ' LEU . 70.6 m-70 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.414 ' CD ' HG12 ' A' ' 164' ' ' ILE . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 142' ' ' ILE . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.2 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.654 HD22 ' OD1' ' A' ' 134' ' ' ASN . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 133' ' ' VAL . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' THR . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' VAL . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 37' ' ' PHE . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 38' ' ' ILE . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 38' ' ' ILE . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 81' ' ' ASN . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 31' ' ' VAL . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.501 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 126' ' ' ILE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.508 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' ' 126' ' ' ILE . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 119' ' ' ARG . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.659 HG23 HD22 ' A' ' 103' ' ' LEU . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 18' ' ' GLN . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.654 ' OD1' HD22 ' A' ' 17' ' ' LEU . 28.1 m-80 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 27' ' ' ILE . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 137' ' ' VAL . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.456 HG22 ' HG ' ' A' ' 43' ' ' LEU . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 154' ' ' ILE . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 151' ' ' GLN . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.452 ' HA ' HD12 ' A' ' 164' ' ' ILE . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.405 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 161' ' ' ASN . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.453 ' HB ' HD22 ' A' ' 108' ' ' LEU . 39.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.509 ' CD2' HD21 ' A' ' 108' ' ' LEU . 22.5 m80 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 164' ' ' ILE . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 163' ' ' SER . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.464 ' SG ' HG22 ' A' ' 142' ' ' ILE . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 10.7 mm100 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.551 HD22 ' OD1' ' A' ' 134' ' ' ASN . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 HG13 ' A' ' 133' ' ' VAL . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' A' ' 32' ' ' GLU . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 71' ' ' ILE . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 38' ' ' ILE . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 HG22 ' A' ' 148' ' ' VAL . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' O ' HG22 ' A' ' 154' ' ' ILE . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG21 ' A' ' 80' ' ' VAL . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CE1' HD23 ' A' ' 29' ' ' LEU . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 33' ' ' LYS . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.445 HD23 ' SD ' ' A' ' 76' ' ' MET . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.445 ' SD ' HD23 ' A' ' 73' ' ' LEU . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG21 HG21 ' A' ' 45' ' ' THR . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' H ' HG23 ' A' ' 79' ' ' THR . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 170' ' ' LEU . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.505 HD12 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.48 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG23 ' A' ' 126' ' ' ILE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 126' ' ' ILE . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.63 HD22 ' HB ' ' A' ' 186' ' ' ILE . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.779 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 103' ' ' LEU . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.611 HG11 ' HA ' ' A' ' 18' ' ' GLN . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.551 ' OD1' HD22 ' A' ' 17' ' ' LEU . 28.3 m-80 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 17' ' ' LEU . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 137' ' ' VAL . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 138' ' ' PHE . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.512 HG22 ' HD2' ' A' ' 147' ' ' ARG . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.452 ' ND1' HG13 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.44 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.512 ' HD2' HG22 ' A' ' 143' ' ' THR . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 43' ' ' LEU . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.605 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 44' ' ' CYS . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 164' ' ' ILE . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.462 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 98' ' ' LEU . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.505 ' CG ' HD12 ' A' ' 99' ' ' ILE . 33.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.632 HG22 HG23 ' A' ' 190' ' ' VAL . 47.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 111' ' ' ALA . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 133' ' ' VAL . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 83' ' ' VAL . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 148' ' ' VAL . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.419 HG21 HG21 ' A' ' 80' ' ' VAL . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.589 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 82' ' ' ALA . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.456 ' N ' HG23 ' A' ' 80' ' ' VAL . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.655 ' H ' HG23 ' A' ' 79' ' ' THR . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 170' ' ' LEU . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 171' ' ' MET . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.705 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 126' ' ' ILE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.705 ' CD2' ' CD1' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.624 HD22 ' HB ' ' A' ' 186' ' ' ILE . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.552 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.591 HG21 ' HB2' ' A' ' 118' ' ' GLU . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 197' ' ' GLN . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.708 HG23 HD22 ' A' ' 103' ' ' LEU . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG11 ' CA ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.404 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.543 ' O ' HG23 ' A' ' 148' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.773 HD21 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.404 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 43' ' ' LEU . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 2.6 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.469 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.469 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.645 ' HA ' HD12 ' A' ' 164' ' ' ILE . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 161' ' ' ASN . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.773 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 98' ' ' LEU . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.624 ' HB ' HD22 ' A' ' 108' ' ' LEU . 50.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 111' ' ' ALA . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.425 ' HG3' HD21 ' A' ' 120' ' ' LEU . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.404 ' N ' HE22 ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 HD22 ' OD1' ' A' ' 134' ' ' ASN . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' LEU . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.458 HG23 ' HD2' ' A' ' 28' ' ' PRO . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' ILE . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CB ' HD12 ' A' ' 73' ' ' LEU . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 35' ' ' VAL . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 39' ' ' GLU . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.782 0.325 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' OD1' ' HE3' ' A' ' 76' ' ' MET . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 82' ' ' ALA . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.975 HD12 ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 126' ' ' ILE . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 118' ' ' GLU . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HB2' HG21 ' A' ' 113' ' ' ILE . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.634 HG23 HD22 ' A' ' 103' ' ' LEU . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.56 HG11 ' HA ' ' A' ' 18' ' ' GLN . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.455 ' OD1' HD22 ' A' ' 17' ' ' LEU . 23.9 m-80 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 137' ' ' VAL . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.482 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.774 HD21 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CG ' HG22 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.411 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 145' ' ' LEU . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.774 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.975 ' HB2' HD12 ' A' ' 99' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.43 HG22 HG23 ' A' ' 190' ' ' VAL . 57.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.601 ' CD2' HD21 ' A' ' 108' ' ' LEU . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.433 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.43 HG23 HG22 ' A' ' 186' ' ' ILE . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.661 HD11 HD13 ' A' ' 145' ' ' LEU . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.4 ' HG2' HD21 ' A' ' 120' ' ' LEU . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.6 OUTLIER 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 137' ' ' VAL . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.547 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' LEU . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.608 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.549 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' ND1' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 83' ' ' VAL . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' OH ' ' A' ' 49' ' ' TYR . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD22 ' NH1' ' A' ' 147' ' ' ARG . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.773 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 73' ' ' LEU . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 37' ' ' PHE . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 129' ' ' LYS . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD21 ' ND1' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB2' HG21 ' A' ' 113' ' ' ILE . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.743 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.547 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HD2' HD22 ' A' ' 103' ' ' LEU . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.547 HG11 ' CA ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 137' ' ' VAL . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.438 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.599 ' NH1' HD22 ' A' ' 43' ' ' LEU . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 43' ' ' LEU . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.416 ' ND1' HD21 ' A' ' 108' ' ' LEU . 2.3 m80 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 1.7 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 120' ' ' LEU . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' PHE . . . . . 0.556 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.459 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 133' ' ' VAL . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' HG23 ' A' ' 41' ' ' THR . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HA ' HD13 ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' PHE . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.405 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' VAL . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.584 HD23 HD22 ' A' ' 170' ' ' LEU . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.596 HD12 ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 126' ' ' ILE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 186' ' ' ILE . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.538 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.485 HG23 HD22 ' A' ' 103' ' ' LEU . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.511 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.427 ' O ' HD11 ' A' ' 27' ' ' ILE . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.575 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.471 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.664 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.572 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.537 HG22 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' A' ' 145' ' ' LEU . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 164' ' ' ILE . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.664 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.584 HD22 HD23 ' A' ' 98' ' ' LEU . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.596 ' HG3' HD12 ' A' ' 99' ' ' ILE . 28.9 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.538 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 20.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 186' ' ' ILE . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.631 HG12 HD11 ' A' ' 195' ' ' ILE . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 195' ' ' ILE . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 192' ' ' GLU . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 142' ' ' ILE . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.448 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD22 ' OD1' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 133' ' ' VAL . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 136' ' ' ASP . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' A' ' 38' ' ' ILE . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 83' ' ' VAL . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CG2' ' A' ' 38' ' ' ILE . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 37' ' ' PHE . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 170' ' ' LEU . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.664 HD12 ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' HIS . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.474 HD22 ' HB ' ' A' ' 186' ' ' ILE . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' A' ' 118' ' ' GLU . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.623 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 120' ' ' LEU . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.542 ' OD1' HD22 ' A' ' 17' ' ' LEU . 19.6 m-80 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 27' ' ' ILE . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.667 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 43' ' ' LEU . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.409 HE21 HD12 ' A' ' 154' ' ' ILE . 5.2 mm100 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.485 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.409 HD12 HE21 ' A' ' 151' ' ' GLN . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.485 HG22 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 164' ' ' ILE . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 161' ' ' ASN . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.667 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 98' ' ' LEU . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.664 ' HG3' HD12 ' A' ' 99' ' ' ILE . 25.3 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.784 HG22 HG23 ' A' ' 190' ' ' VAL . 20.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 186' ' ' ILE . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.784 HG23 HG22 ' A' ' 186' ' ' ILE . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 120' ' ' LEU . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 202' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.937 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' LEU . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' VAL . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.607 HD13 ' OH ' ' A' ' 49' ' ' TYR . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' A' ' 43' ' ' LEU . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 39' ' ' GLU . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.685 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 81' ' ' ASN . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.429 ' N ' HG23 ' A' ' 80' ' ' VAL . 49.0 m-20 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.685 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 171' ' ' MET . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 126' ' ' ILE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.502 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 118' ' ' GLU . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' GLU . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.693 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 141' ' ' VAL . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 137' ' ' VAL . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 147' ' ' ARG . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HD2' HG22 ' A' ' 143' ' ' THR . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 144' ' ' HIS . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.599 ' HG3' HD12 ' A' ' 154' ' ' ILE . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.502 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 151' ' ' GLN . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 145' ' ' LEU . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.822 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 99' ' ' ILE . 13.7 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.868 0.366 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 145' ' ' LEU . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.608 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 9.9 mm100 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 202' ' ' PHE . . . . . 0.416 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.6 OUTLIER 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.636 ' N ' HG22 ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' OD1' ' A' ' 134' ' ' ASN . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.608 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' HZ ' ' HB1' ' A' ' 86' ' ' ALA . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 35' ' ' VAL . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 29' ' ' LEU . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 HG21 HD21 ' A' ' 48' ' ' LEU . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.423 HG21 HG21 ' A' ' 80' ' ' VAL . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 38' ' ' ILE . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 61' ' ' ILE . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 83' ' ' VAL . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HG3' ' HE1' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 37' ' ' PHE . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE1' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.8 m-80 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 170' ' ' LEU . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 171' ' ' MET . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.491 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.802 HD22 HG23 ' A' ' 126' ' ' ILE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.554 ' CE1' ' SD ' ' A' ' 171' ' ' MET . 0.3 OUTLIER -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.583 HG21 ' HB2' ' A' ' 118' ' ' GLU . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 HD22 ' A' ' 103' ' ' LEU . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.608 HG11 ' CA ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.624 ' OD1' HD22 ' A' ' 17' ' ' LEU . 50.3 m-80 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 142' ' ' ILE . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.595 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 2.6 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.434 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' ALA . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 98' ' ' LEU . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.554 ' SD ' ' CE1' ' A' ' 104' ' ' HIS . 37.7 mmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.757 ' CD2' HD21 ' A' ' 108' ' ' LEU . 16.2 m80 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 111' ' ' ALA . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 196' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 133' ' ' VAL . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 28' ' ' PRO . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 73' ' ' LEU . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD11 ' HG2' ' A' ' 33' ' ' LYS . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 76' ' ' MET . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.526 ' N ' HG23 ' A' ' 80' ' ' VAL . 39.6 m-20 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 170' ' ' LEU . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.521 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.739 HD22 HG23 ' A' ' 126' ' ' ILE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 119' ' ' ARG . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.424 ' CB ' HG21 ' A' ' 113' ' ' ILE . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 113' ' ' ILE . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.739 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.572 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 17' ' ' LEU . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.48 ' OD1' HD22 ' A' ' 17' ' ' LEU . 22.0 m-80 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 142' ' ' ILE . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' THR . . . . . 0.417 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 195' ' ' ILE . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.417 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 144' ' ' HIS . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 98' ' ' LEU . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 190' ' ' VAL . 10.3 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.36 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 98.0 m-70 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.473 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.486 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 12.0 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.414 HE22 ' N ' ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.414 ' N ' HE22 ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 133' ' ' VAL . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' LEU . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.741 HD13 ' OH ' ' A' ' 49' ' ' TYR . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HA ' HD13 ' A' ' 43' ' ' LEU . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.741 ' OH ' HD13 ' A' ' 38' ' ' ILE . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 61' ' ' ILE . 60.4 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 76' ' ' MET . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.556 ' SD ' HD23 ' A' ' 73' ' ' LEU . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.452 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 171' ' ' MET . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD22 HG23 ' A' ' 126' ' ' ILE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 113' ' ' ILE . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 197' ' ' GLN . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 103' ' ' LEU . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.53 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 17' ' ' LEU . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.504 ' HE2' HG22 ' A' ' 127' ' ' VAL . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 141' ' ' VAL . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 137' ' ' VAL . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.452 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.899 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.617 ' HG3' HD12 ' A' ' 154' ' ' ILE . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.504 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.617 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.473 HG22 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.442 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.658 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.899 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.729 ' HG3' HD12 ' A' ' 99' ' ' ILE . 55.2 mtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 190' ' ' VAL . 14.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 5.2 m80 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 186' ' ' ILE . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.552 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 28' ' ' PRO . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' VAL . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.408 ' O ' HG22 ' A' ' 154' ' ' ILE . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 38' ' ' ILE . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 38' ' ' ILE . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 79.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 76' ' ' MET . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.589 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 170' ' ' LEU . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.672 HD22 HG23 ' A' ' 126' ' ' ILE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.517 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 122' ' ' ALA . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.664 ' HB2' HG21 ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.799 HD21 ' HG3' ' A' ' 197' ' ' GLN . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.672 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 HD23 ' A' ' 17' ' ' LEU . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.411 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 166' ' ' PHE . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 44' ' ' CYS . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' A' ' 164' ' ' ILE . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 145' ' ' LEU . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 195' ' ' ILE . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 161' ' ' ASN . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.687 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 18.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 163' ' ' SER . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.799 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.433 HG22 HE22 ' A' ' 197' ' ' GLN . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 134' ' ' ASN . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.595 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 136' ' ' ASP . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 65' ' ' PHE . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 31' ' ' VAL . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.773 HD13 ' OH ' ' A' ' 49' ' ' TYR . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 148' ' ' VAL . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 48' ' ' LEU . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' HE1' HD13 ' A' ' 29' ' ' LEU . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.519 HD23 ' SD ' ' A' ' 76' ' ' MET . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.519 ' SD ' HD23 ' A' ' 73' ' ' LEU . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.814 HD22 HG23 ' A' ' 126' ' ' ILE . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.499 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.414 HG22 ' ND1' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HB2' HG21 ' A' ' 113' ' ' ILE . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' ND1' HG22 ' A' ' 117' ' ' THR . 33.6 m80 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.814 HG23 HD22 ' A' ' 103' ' ' LEU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.555 HG12 HD23 ' A' ' 17' ' ' LEU . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 17' ' ' LEU . 35.1 m-80 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.483 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.672 HD21 ' CE1' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.765 ' C ' HD23 ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.873 HG22 ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.592 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.583 HG22 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 145' ' ' LEU . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 195' ' ' ILE . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.572 ' CD2' HD21 ' A' ' 108' ' ' LEU . 11.1 m80 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.418 HD11 HD13 ' A' ' 145' ' ' LEU . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' A' ' 87' ' ' LEU . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.463 ' CB ' HD12 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.477 HG21 HG21 ' A' ' 80' ' ' VAL . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CD1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 29' ' ' LEU . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 45' ' ' THR . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 80' ' ' VAL . 20.6 m-80 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 31' ' ' VAL . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.847 HD22 HG23 ' A' ' 126' ' ' ILE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CD2' HG22 ' A' ' 99' ' ' ILE . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.595 HD21 ' CD2' ' A' ' 187' ' ' HIS . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.887 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 118' ' ' GLU . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.43 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.557 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.847 HG23 HD22 ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.495 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 25.8 m-80 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 137' ' ' VAL . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.547 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.428 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.491 HG22 HD11 ' A' ' 43' ' ' LEU . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.549 ' CG ' HG22 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' ILE . . . . . 0.758 HG22 HG23 ' A' ' 190' ' ' VAL . 2.8 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.595 ' CD2' HD21 ' A' ' 108' ' ' LEU . 6.4 m80 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' VAL . . . . . 0.887 HG22 ' CB ' ' A' ' 111' ' ' ALA . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 195' ' ' ILE . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 192' ' ' GLU . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.557 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 11.4 mm100 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 208' ' ' VAL . . . . . 0.475 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' ILE . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.835 HD13 ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.835 ' OH ' HD13 ' A' ' 38' ' ' ILE . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' VAL . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.569 ' H ' HG23 ' A' ' 79' ' ' THR . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CE1' HD21 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD21 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 171' ' ' MET . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD22 HG23 ' A' ' 126' ' ' ILE . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.633 HG21 ' HB2' ' A' ' 118' ' ' GLU . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 197' ' ' GLN . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.602 HG23 HD22 ' A' ' 103' ' ' LEU . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.632 HG11 ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 142' ' ' ILE . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 138' ' ' PHE . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' HIS . . . . . 0.454 ' CG ' HG13 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 162' ' ' LEU . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' HIS . . . . . 0.542 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.429 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 187' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 163' ' ' SER . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.457 ' HG3' HD21 ' A' ' 120' ' ' LEU . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 200' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 202' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.1 OUTLIER 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 207' ' ' ILE . . . . . 0.447 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -111.65 129.4 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m -70.99 159.23 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.76 -96.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -54.68 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -79.13 135.4 36.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.44 -47.1 85.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.25 160.7 19.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.85 120.3 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 97.8 p -119.89 162.05 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -98.22 -34.79 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.513 ' O ' HD21 ' A' ' 20' ' ' LEU . 68.8 t80 -105.51 -38.93 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 14.4 m-85 -69.85 168.77 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.998 HD23 HG12 ' A' ' 133' ' ' VAL . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 12' ' ' TYR . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 136' ' ' ASP . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 38' ' ' ILE . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' HG21 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.736 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 53' ' ' GLY . 56.2 t -63.97 123.52 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' VAL . 6.8 t -35.94 -43.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 83.6 110.35 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -43.01 97.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' THR . 15.1 tptp -45.42 -43.83 11.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' LYS . 82.3 m -33.98 -57.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.409 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' VAL . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.736 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.438 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' HIS . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.497 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' A' ' 187' ' ' HIS . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HB2' HG21 ' A' ' 113' ' ' ILE . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.521 HG22 ' HE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.998 HG12 HD23 ' A' ' 17' ' ' LEU . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.521 ' HE1' HG22 ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.583 ' O ' HD11 ' A' ' 27' ' ' ILE . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.591 HG22 ' SG ' ' A' ' 198' ' ' CYS . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.465 ' CG ' HG13 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.674 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.549 ' HG3' HD12 ' A' ' 154' ' ' ILE . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.458 ' HB2' HG23 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.674 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp -126.02 104.77 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 23.2 mmt180 -114.51 99.87 52.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 175' ' ' PHE . 52.9 Cg_endo -69.81 134.71 28.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -129.74 90.5 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 173' ' ' PRO . 8.4 m-85 -107.06 -54.95 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 42.55 38.8 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -126.46 147.01 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 79.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.5 130.04 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -120.11 178.22 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.2 mt 56.31 47.67 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 184' ' ' THR . 45.2 m -128.9 -34.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 182' ' ' SER . 66.6 p -37.76 142.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 182' ' ' SER . 43.3 p -135.87 130.88 34.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.43 45.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.6 HG22 HG23 ' A' ' 190' ' ' VAL . 15.4 mt -113.23 -34.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.6 HG23 HG22 ' A' ' 186' ' ' ILE . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 195' ' ' ILE . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.591 ' SG ' HG22 ' A' ' 142' ' ' ILE . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.1 OUTLIER 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t 62.44 43.02 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -132.18 143.76 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.63 58.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -87.08 86.79 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.7 m -156.7 134.03 10.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.1 -44.86 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.468 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.78 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.686 0.279 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -92.7 136.19 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -140.92 163.8 31.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -97.92 -40.04 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -105.02 -52.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -45.26 145.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 133' ' ' VAL . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 136' ' ' ASP . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' ' 35' ' ' VAL . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 31' ' ' VAL . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CD2' HG21 ' A' ' 83' ' ' VAL . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 35' ' ' VAL . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 80' ' ' VAL . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.43 140.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -56.52 -47.07 80.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.49 124.29 1.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -39.04 102.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' THR . 4.6 tptm -46.58 -46.19 19.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' LYS . 44.5 m -36.88 -48.27 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.532 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' H ' HG23 ' A' ' 79' ' ' THR . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 37' ' ' PHE . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.716 HD12 ' HG3' ' A' ' 171' ' ' MET . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 126' ' ' ILE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.503 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 186' ' ' ILE . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.524 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.6 HG23 HD22 ' A' ' 103' ' ' LEU . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.564 HG12 HD23 ' A' ' 17' ' ' LEU . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.444 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 7.0 m-80 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.596 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 141' ' ' VAL . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 137' ' ' VAL . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.484 HG22 ' SG ' ' A' ' 198' ' ' CYS . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.438 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.529 HG22 HD11 ' A' ' 43' ' ' LEU . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' ' 164' ' ' ILE . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 161' ' ' ASN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.733 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.716 ' HG3' HD12 ' A' ' 99' ' ' ILE . 27.4 mtp -123.9 83.24 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -68.25 118.3 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -120.96 60.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.18 -36.08 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 54.86 50.5 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 179' ' ' GLU . 14.6 p-10 -56.79 122.16 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.18 40.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 177' ' ' ASN . 42.6 mt-10 -152.27 144.0 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 183' ' ' THR . 51.9 t80 -91.51 -27.38 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.29 -37.46 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 95.9 p -54.45 -23.03 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 180' ' ' PHE . 9.9 t -42.6 134.52 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.471 ' HB ' HD12 ' A' ' 186' ' ' ILE . 75.0 p -96.07 -49.66 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.5 tptt 62.57 43.07 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.523 HG22 HG23 ' A' ' 190' ' ' VAL . 28.7 mt -117.55 -40.68 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.438 ' CD2' HD21 ' A' ' 108' ' ' LEU . 10.7 m80 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.519 ' HG2' HD21 ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 142' ' ' ILE . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 204' ' ' ASN . 0.7 OUTLIER 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -55.62 -47.88 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -65.54 -43.64 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.74 120.01 2.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -94.73 40.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -113.8 155.64 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 -53.88 7.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.79 170.76 10.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.731 0.3 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.37 133.89 35.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -143.7 -177.76 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.76 -30.98 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.511 ' CE2' HD22 ' A' ' 20' ' ' LEU . 85.8 t80 -105.69 -49.23 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.31 143.61 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.594 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 12' ' ' TYR . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 HG13 ' A' ' 133' ' ' VAL . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 136' ' ' ASP . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 31' ' ' VAL . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' VAL . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' PHE . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' OH ' HD13 ' A' ' 38' ' ' ILE . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.62 141.59 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.9 t -69.1 134.73 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -90.35 107.53 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' LYS . 28.6 t-20 -36.48 100.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' ASN . 2.8 tptm -35.46 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m -39.61 -59.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.496 ' SD ' HD23 ' A' ' 73' ' ' LEU . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 81' ' ' ASN . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.552 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 31' ' ' VAL . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 97' ' ' PRO . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 130' ' ' PHE . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 126' ' ' ILE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.518 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' A' ' 187' ' ' HIS . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.488 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.587 HG21 ' HB2' ' A' ' 118' ' ' GLU . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 197' ' ' GLN . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.529 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.594 HG11 ' CA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.523 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.461 ' CG ' HG13 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 162' ' ' LEU . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.591 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.591 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.471 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 172' ' ' ARG . 15.1 mtp -121.77 35.08 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 171' ' ' MET . 2.9 ptp180 -32.81 139.05 0.23 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -172.97 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -139.43 120.69 14.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.72 -46.23 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -56.1 -16.71 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 178' ' ' ARG . 4.1 m120 -100.24 162.07 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 179' ' ' GLU . 34.0 mmt-85 -35.93 101.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 178' ' ' ARG . 2.2 pp20? -34.63 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -165.22 168.27 17.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 8.0 mt 62.44 43.34 8.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -41.69 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 183' ' ' THR . 10.0 t -97.0 62.43 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 81.3 p -112.28 -39.52 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 59.96 43.01 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.46 ' HB ' HD22 ' A' ' 108' ' ' LEU . 68.4 mt -129.56 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.652 ' CD2' HD21 ' A' ' 108' ' ' LEU . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 3.6 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.488 HG22 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 195' ' ' ILE . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.509 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 192' ' ' GLU . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.419 ' HG3' HD21 ' A' ' 120' ' ' LEU . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -98.73 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -87.51 142.27 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.97 71.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -66.41 -49.93 65.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -99.74 113.32 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.23 3.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -93.96 179.57 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -88.06 133.53 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -139.8 166.5 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.16 -29.5 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' PHE . 84.1 m-85 -115.46 -53.68 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' TYR . 14.1 m-85 -37.39 124.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 38' ' ' ILE . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 83' ' ' VAL . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.77 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.684 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.77 ' OH ' HD13 ' A' ' 38' ' ' ILE . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t -69.06 121.0 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 m -48.95 -48.94 42.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 -164.67 25.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' LYS . 58.4 t-20 -117.98 96.42 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.6 tptt -34.18 -42.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LYS . 90.3 m -36.71 -57.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 73' ' ' LEU . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.703 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' PRO . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.535 HD12 ' HG3' ' A' ' 171' ' ' MET . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.747 HD22 HG23 ' A' ' 126' ' ' ILE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 186' ' ' ILE . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 119' ' ' ARG . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.747 HG23 HD22 ' A' ' 103' ' ' LEU . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.558 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.607 ' CE1' HD11 ' A' ' 142' ' ' ILE . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.607 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 166' ' ' PHE . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.494 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.494 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 164' ' ' ILE . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 145' ' ' LEU . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 161' ' ' ASN . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.535 ' HG3' HD12 ' A' ' 99' ' ' ILE . 67.8 mtp -125.9 103.84 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -127.47 103.84 22.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.737 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.637 ' CG ' ' CZ ' ' A' ' 175' ' ' PHE . 53.5 Cg_endo -69.84 3.39 2.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 62.05 54.96 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.637 ' CZ ' ' CG ' ' A' ' 173' ' ' PRO . 23.6 m-85 -51.47 -39.03 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 175' ' ' PHE . 20.1 mm-40 -34.01 -37.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 16.0 t30 -82.2 141.62 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -42.98 97.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -151.72 130.48 12.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -151.38 151.94 32.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 11.0 mt 72.4 30.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 17.2 t -127.41 -28.66 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 3.4 t -57.07 147.54 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 70.7 p -139.42 144.05 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -85.9 39.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.536 HG22 HG23 ' A' ' 190' ' ' VAL . 17.6 mt -111.54 -41.58 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 186' ' ' ILE . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.468 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 145' ' ' LEU . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 10.8 mm100 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.529 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -130.88 -35.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -64.34 -58.2 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 126.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.32 -60.22 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 139.17 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.35 81.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.07 167.08 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -83.09 124.44 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 p -130.69 167.96 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -103.47 -38.08 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.02 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -39.84 157.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.825 HD22 ' OD1' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CA ' HG11 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 28' ' ' PRO . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' VAL . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CB ' HD12 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' HD13 ' A' ' 38' ' ' ILE . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.37 99.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -40.24 123.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -80.67 121.29 5.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 41.7 t-20 -35.99 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.1 tptt -34.77 -39.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.9 m -37.09 -55.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HB1' ' A' ' 82' ' ' ALA . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' HD23 ' A' ' 73' ' ' LEU . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 61' ' ' ILE . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD13 ' A' ' 61' ' ' ILE . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.568 HD12 ' HG3' ' A' ' 171' ' ' MET . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.448 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' HIS . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.64 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' A' ' 118' ' ' GLU . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.652 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 113' ' ' ILE . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.523 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.825 ' OD1' HD22 ' A' ' 17' ' ' LEU . 16.4 m-80 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.566 HG22 ' SG ' ' A' ' 198' ' ' CYS . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.414 HG12 ' CD ' ' A' ' 188' ' ' GLN . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.568 ' HG3' HD12 ' A' ' 99' ' ' ILE . 6.6 mtp -120.5 87.11 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -72.33 125.38 91.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 174' ' ' ASP . 53.9 Cg_endo -69.73 158.94 55.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 173' ' ' PRO . 13.8 m-20 -174.98 150.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.05 -27.0 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.72 -10.55 37.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.31 23.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 67.26 54.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 174' ' ' ASP . 0.4 OUTLIER -155.12 137.04 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 181' ' ' LEU . 3.7 t80 -76.94 -175.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 180' ' ' PHE . 4.4 mt -39.11 149.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.5 m -98.97 32.63 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.2 t -73.82 71.06 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 50.1 p -130.38 137.5 49.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -86.08 45.21 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.577 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 mt -129.32 -48.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.64 ' CD2' HD21 ' A' ' 108' ' ' LEU . 30.6 m80 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.414 ' CD ' HG12 ' A' ' 164' ' ' ILE . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 142' ' ' ILE . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -130.51 159.6 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -42.45 137.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.1 -171.85 21.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.3 m -37.25 -61.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.857 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.88 -60.2 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.17 -46.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.498 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -97.7 173.92 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.7 115.42 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 77.9 p -119.73 173.57 6.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.2 -35.38 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -112.63 -46.45 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 8.2 m-85 -43.67 148.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.654 HD22 ' OD1' ' A' ' 134' ' ' ASN . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 133' ' ' VAL . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' THR . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' VAL . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 37' ' ' PHE . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 38' ' ' ILE . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 38' ' ' ILE . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 53' ' ' GLY . 88.8 t -67.35 136.3 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -41.36 -44.78 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 91.53 106.22 1.46 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLY . 41.0 t30 -36.89 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.84 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' THR . 12.7 tptp -51.89 -44.26 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 m -35.1 -59.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 81' ' ' ASN . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 31' ' ' VAL . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB1' ' NH2' ' A' ' 172' ' ' ARG . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.501 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 126' ' ' ILE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.508 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' ' 126' ' ' ILE . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 119' ' ' ARG . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.659 HG23 HD22 ' A' ' 103' ' ' LEU . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 18' ' ' GLN . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.654 ' OD1' HD22 ' A' ' 17' ' ' LEU . 28.1 m-80 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 27' ' ' ILE . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 137' ' ' VAL . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.456 HG22 ' HG ' ' A' ' 43' ' ' LEU . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 154' ' ' ILE . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 151' ' ' GLN . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.452 ' HA ' HD12 ' A' ' 164' ' ' ILE . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.405 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 161' ' ' ASN . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp -134.44 109.51 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 32.8 mtt180 -105.45 94.9 9.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -130.56 126.84 37.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 8.1 m-85 -114.57 -32.36 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' PHE . 38.6 mt-10 -37.31 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 175' ' ' PHE . 82.6 m-20 -116.79 -60.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 178' ' ' ARG . 0.0 OUTLIER -72.16 164.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.99 101.84 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.538 ' HB2' ' CD1' ' A' ' 175' ' ' PHE . 3.8 t80 -43.28 -37.78 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.83 -43.79 90.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.4 t -133.74 85.5 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 184' ' ' THR . 0.0 OUTLIER -128.6 -56.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.466 ' H ' HG23 ' A' ' 183' ' ' THR . 21.2 p -126.83 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? 62.23 38.92 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.453 ' HB ' HD22 ' A' ' 108' ' ' LEU . 39.6 mt -134.18 -38.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.645 ' CE1' HD21 ' A' ' 108' ' ' LEU . 50.3 m-70 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 164' ' ' ILE . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 163' ' ' SER . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.464 ' SG ' HG22 ' A' ' 142' ' ' ILE . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 10.7 mm100 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -125.97 105.3 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -123.94 111.01 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.77 -149.85 6.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.6 t -160.2 176.15 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 25.4 m -34.48 -54.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -48.49 3.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.95 173.63 12.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -89.12 140.69 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -145.0 -177.74 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.56 -32.31 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -106.24 -52.34 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.62 142.94 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.551 HD22 ' OD1' ' A' ' 134' ' ' ASN . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 HG13 ' A' ' 133' ' ' VAL . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' A' ' 32' ' ' GLU . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 71' ' ' ILE . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 38' ' ' ILE . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 HG22 ' A' ' 148' ' ' VAL . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' O ' HG22 ' A' ' 154' ' ' ILE . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG21 ' A' ' 80' ' ' VAL . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 53' ' ' GLY . 86.2 t -85.16 124.78 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -39.24 -45.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 100.08 147.08 20.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' LYS . 27.9 t30 -65.75 89.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -34.46 -55.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' LYS . 37.6 m -30.96 -50.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CE1' HD23 ' A' ' 29' ' ' LEU . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 33' ' ' LYS . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.445 HD23 ' SD ' ' A' ' 76' ' ' MET . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.445 ' SD ' HD23 ' A' ' 73' ' ' LEU . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG21 HG21 ' A' ' 45' ' ' THR . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' H ' HG23 ' A' ' 79' ' ' THR . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 170' ' ' LEU . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.505 HD12 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.48 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG23 ' A' ' 126' ' ' ILE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 126' ' ' ILE . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.63 HD22 ' HB ' ' A' ' 186' ' ' ILE . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.779 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 103' ' ' LEU . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG11 ' HA ' ' A' ' 18' ' ' GLN . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.551 ' OD1' HD22 ' A' ' 17' ' ' LEU . 28.3 m-80 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 17' ' ' LEU . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 137' ' ' VAL . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 138' ' ' PHE . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.512 HG22 ' HD2' ' A' ' 147' ' ' ARG . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.452 ' ND1' HG13 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.44 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.512 ' HD2' HG22 ' A' ' 143' ' ' THR . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 43' ' ' LEU . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.605 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 44' ' ' CYS . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 164' ' ' ILE . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.462 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 98' ' ' LEU . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.505 ' CG ' HD12 ' A' ' 99' ' ' ILE . 33.2 mtp -150.96 118.86 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -92.32 136.0 26.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 54.0 Cg_endo -69.71 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.4 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 2.3 m-20 -137.48 106.99 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 24.0 m-85 -98.49 -33.95 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -39.26 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 49.7 t30 -102.77 132.44 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -122.5 102.27 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 180' ' ' PHE . 7.8 pt-20 -173.11 115.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 179' ' ' GLU . 10.4 t80 -36.38 -50.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 178.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 56.71 34.96 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 183' ' ' THR . 9.0 t -90.04 121.07 31.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 28.7 p -92.71 -70.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.6 tptm 55.16 38.91 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.632 HG22 HG23 ' A' ' 190' ' ' VAL . 47.0 mt -110.69 -38.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 111' ' ' ALA . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -75.33 127.93 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -127.71 153.66 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.31 69.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -91.35 105.22 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -137.57 148.33 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.62 -45.53 12.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.5 p90 -107.46 173.03 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.78 134.21 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -138.89 174.44 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -112.35 -34.66 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -106.77 -52.56 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 -46.15 152.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 133' ' ' VAL . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 83' ' ' VAL . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 148' ' ' VAL . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.419 HG21 HG21 ' A' ' 80' ' ' VAL . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 53' ' ' GLY . 98.4 t -78.37 126.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -44.66 -40.77 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.555 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 84.43 110.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' GLY . 45.5 t30 -34.5 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' THR . 10.8 tptp -40.02 -43.73 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.3 m -35.1 -59.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.589 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 82' ' ' ALA . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.456 ' N ' HG23 ' A' ' 80' ' ' VAL . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.655 ' H ' HG23 ' A' ' 79' ' ' THR . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 170' ' ' LEU . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 171' ' ' MET . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.705 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 126' ' ' ILE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.705 ' CD2' ' CD1' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.624 HD22 ' HB ' ' A' ' 186' ' ' ILE . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.552 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.591 HG21 ' HB2' ' A' ' 118' ' ' GLU . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 197' ' ' GLN . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.708 HG23 HD22 ' A' ' 103' ' ' LEU . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG11 ' CA ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.404 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.543 ' O ' HG23 ' A' ' 148' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.773 HD21 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.404 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 43' ' ' LEU . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 2.6 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.469 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.469 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.645 ' HA ' HD12 ' A' ' 164' ' ' ILE . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 161' ' ' ASN . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.773 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 98' ' ' LEU . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp -140.63 109.9 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -82.56 117.01 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.248 . . . . 0.0 112.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.59 107.2 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.43 -36.82 3.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -37.92 -33.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -56.12 173.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.89 74.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.25 138.66 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.44 -179.31 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.3 mt 59.5 44.23 15.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 183' ' ' THR . 22.1 m -129.56 -38.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 182' ' ' SER . 0.1 OUTLIER -36.71 116.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 42.0 p -93.14 -41.93 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 184' ' ' THR . 0.3 OUTLIER 48.01 37.55 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.624 ' HB ' HD22 ' A' ' 108' ' ' LEU . 50.7 mt -114.97 -35.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 111' ' ' ALA . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.425 ' HG3' HD21 ' A' ' 120' ' ' LEU . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.404 ' N ' HE22 ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -52.63 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 m -75.69 112.43 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.6 88.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 m -90.42 88.31 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.07 157.31 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.29 -40.83 99.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -107.6 161.28 15.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.703 0.287 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.3 116.23 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p -124.68 158.01 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -101.38 -27.76 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 4.3 t80 -112.99 -54.01 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.67 164.54 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD22 ' OD1' ' A' ' 134' ' ' ASN . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.458 HG23 ' HD2' ' A' ' 28' ' ' PRO . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' ILE . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CB ' HD12 ' A' ' 73' ' ' LEU . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 35' ' ' VAL . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 39' ' ' GLU . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.62 140.47 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.2 p -58.33 -47.92 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.28 145.85 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -64.86 92.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.8 tptt -38.69 -42.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' LYS . 98.0 m -35.18 -55.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' OD1' ' HE3' ' A' ' 76' ' ' MET . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 82' ' ' ALA . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.975 HD12 ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 126' ' ' ILE . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 118' ' ' GLU . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HB2' HG21 ' A' ' 113' ' ' ILE . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.634 HG23 HD22 ' A' ' 103' ' ' LEU . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.56 HG11 ' HA ' ' A' ' 18' ' ' GLN . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.455 ' OD1' HD22 ' A' ' 17' ' ' LEU . 23.9 m-80 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 137' ' ' VAL . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.482 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.774 HD21 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CG ' HG22 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.411 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 145' ' ' LEU . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.774 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.975 ' HB2' HD12 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.47 101.94 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 23.8 mtm180 -109.19 96.01 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 172' ' ' ARG . 53.6 Cg_endo -69.77 137.78 36.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.22 82.86 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 176' ' ' GLU . 73.9 m-85 -126.95 -45.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 175' ' ' PHE . 5.3 mp0 30.36 50.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -94.58 -57.87 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.55 175.63 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -122.33 21.81 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 180' ' ' PHE . 1.8 t80 -126.38 -52.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.571 ' H ' HD23 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.0 p -61.37 -18.01 56.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 183' ' ' THR . 14.6 t -67.86 128.22 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.13 -53.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.37 28.01 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.43 HG22 HG23 ' A' ' 190' ' ' VAL . 57.4 mt -119.67 -31.7 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.601 ' CD2' HD21 ' A' ' 108' ' ' LEU . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.433 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.43 HG23 HG22 ' A' ' 186' ' ' ILE . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.661 HD11 HD13 ' A' ' 145' ' ' LEU . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.4 ' HG2' HD21 ' A' ' 120' ' ' LEU . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.6 OUTLIER 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -126.94 147.43 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -132.72 101.59 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.57 107.67 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -159.77 150.97 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -53.56 162.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -42.77 23.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -81.94 169.0 17.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -126.35 161.11 28.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.45 -35.6 8.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -109.85 -53.58 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 -40.44 125.2 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 137' ' ' VAL . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.547 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' LEU . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.608 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.549 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' ND1' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 83' ' ' VAL . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' OH ' ' A' ' 49' ' ' TYR . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD22 ' NH1' ' A' ' 147' ' ' ARG . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' SER . 74.4 t -72.59 119.95 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' VAL . 29.7 t -34.86 -61.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . 103.68 118.94 4.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -42.55 94.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -39.87 -44.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 62.8 m -37.87 -54.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.773 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 73' ' ' LEU . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 37' ' ' PHE . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.515 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 129' ' ' LYS . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD21 ' ND1' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB2' HG21 ' A' ' 113' ' ' ILE . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.743 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.547 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HD2' HD22 ' A' ' 103' ' ' LEU . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.547 HG11 ' CA ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 137' ' ' VAL . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.438 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.599 ' NH1' HD22 ' A' ' 43' ' ' LEU . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 43' ' ' LEU . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp -123.16 100.36 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -92.73 110.74 47.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 160.82 48.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -133.6 36.0 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.82 -39.47 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 39.88 43.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -127.81 179.5 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -132.11 93.83 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 183' ' ' THR . 53.2 mt-10 -157.34 137.08 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -66.7 -28.79 68.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.46 -47.97 24.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.8 t -60.96 -66.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 179' ' ' GLU . 12.4 t -49.46 140.72 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 66.6 p -123.91 119.33 29.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -81.54 42.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 27.9 mt -118.38 -38.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.416 ' ND1' HD21 ' A' ' 108' ' ' LEU . 2.3 m80 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 167' ' ' TRP . 1.7 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 120' ' ' LEU . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' PHE . . . . . 0.556 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.459 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -113.31 109.43 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -57.45 -49.82 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.44 159.22 21.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -78.71 -48.55 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -85.57 -54.14 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.85 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.84 159.12 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.289 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 9' ' ' GLU . 39.1 mp0 -66.3 123.72 20.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 p -135.05 164.91 26.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -108.06 -36.76 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -106.31 -51.44 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -46.72 141.97 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 133' ' ' VAL . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' HG23 ' A' ' 41' ' ' THR . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HA ' HD13 ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' PHE . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t -72.02 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.8 m -48.82 -49.58 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.56 123.46 3.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -45.43 119.29 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -60.63 -47.22 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 28.4 m -35.71 -46.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.405 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' VAL . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.455 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.584 HD23 HD22 ' A' ' 170' ' ' LEU . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.596 HD12 ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 126' ' ' ILE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 186' ' ' ILE . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.538 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.485 HG23 HD22 ' A' ' 103' ' ' LEU . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.511 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.427 ' O ' HD11 ' A' ' 27' ' ' ILE . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.575 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.471 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.664 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.572 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.537 HG22 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' A' ' 145' ' ' LEU . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 164' ' ' ILE . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.664 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.584 HD22 HD23 ' A' ' 98' ' ' LEU . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.596 ' HG3' HD12 ' A' ' 99' ' ' ILE . 28.9 mtp -136.21 110.54 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.455 ' NE ' ' HB3' ' A' ' 97' ' ' PRO . 1.4 mpt_? -89.66 138.43 28.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.829 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.58 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -138.15 122.31 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.55 -35.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.32 -26.12 65.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -110.23 -44.0 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.95 122.04 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -113.47 22.03 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.568 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.5 t80 -112.03 175.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 180' ' ' PHE . 3.5 mm? -48.2 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.0 t -122.31 48.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.13 95.12 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 41.5 p -139.21 116.32 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.5 pmtp? -113.29 39.25 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.538 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 20.3 mt -114.27 -44.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 186' ' ' ILE . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.631 HG12 HD11 ' A' ' 195' ' ' ILE . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 195' ' ' ILE . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 192' ' ' GLU . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 142' ' ' ILE . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.448 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -118.69 144.11 46.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -93.2 85.97 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.58 67.3 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -58.84 -53.29 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -120.04 161.9 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.37 -47.2 29.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.37 166.32 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.11 121.39 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -126.42 160.53 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -112.96 -35.03 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -118.38 -42.66 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -49.33 145.57 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD22 ' OD1' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 133' ' ' VAL . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 136' ' ' ASP . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' A' ' 38' ' ' ILE . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 83' ' ' VAL . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CG2' ' A' ' 38' ' ' ILE . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.7 125.78 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -50.13 -44.73 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.58 151.62 11.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' LYS . 40.3 t-20 -57.67 90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -35.55 -43.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' LYS . 95.9 m -35.88 -56.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 37' ' ' PHE . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 170' ' ' LEU . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.664 HD12 ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' HIS . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.474 HD22 ' HB ' ' A' ' 186' ' ' ILE . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' A' ' 118' ' ' GLU . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.623 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 120' ' ' LEU . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.542 ' OD1' HD22 ' A' ' 17' ' ' LEU . 19.6 m-80 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 27' ' ' ILE . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.667 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 43' ' ' LEU . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.409 HE21 HD12 ' A' ' 154' ' ' ILE . 5.2 mm100 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.485 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.409 HD12 HE21 ' A' ' 151' ' ' GLN . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.485 HG22 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 164' ' ' ILE . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 161' ' ' ASN . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.667 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 98' ' ' LEU . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.664 ' HG3' HD12 ' A' ' 99' ' ' ILE . 25.3 mtp -139.93 113.72 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -88.18 138.54 30.61 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.448 ' CG ' ' CE2' ' A' ' 175' ' ' PHE . 53.3 Cg_endo -69.8 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 174' ' ' ASP . 0.2 OUTLIER -134.77 66.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 173' ' ' PRO . 33.3 m-85 -84.08 -54.76 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -47.04 -41.27 16.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -44.17 157.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 178' ' ' ARG . 5.7 mmm180 -57.1 -41.03 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -92.08 100.68 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.851 ' HD1' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -32.88 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.851 HD22 ' HD1' ' A' ' 180' ' ' PHE . 4.6 mm? -67.87 -34.55 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 183' ' ' THR . 40.4 t -40.68 -35.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 182' ' ' SER . 8.7 t -34.86 135.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 187' ' ' HIS . 30.6 p -119.29 112.28 19.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 186' ' ' ILE . 45.8 mttm -60.07 -37.62 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.784 HG22 HG23 ' A' ' 190' ' ' VAL . 20.4 mt -34.92 -37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 184' ' ' THR . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.784 HG23 HG22 ' A' ' 186' ' ' ILE . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 120' ' ' LEU . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -128.37 109.71 11.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -121.13 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.14 -155.05 13.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -47.03 170.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -55.68 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -51.38 1.82 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.8 174.58 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.692 0.282 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.11 136.96 37.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -134.83 159.4 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -94.02 -27.67 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 2.2 t80 -110.06 -52.62 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -58.72 161.78 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.539 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' VAL . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.607 HD13 ' OH ' ' A' ' 49' ' ' TYR . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' A' ' 43' ' ' LEU . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 39' ' ' GLU . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.685 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -72.64 132.65 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -52.87 -58.01 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.14 130.35 2.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -41.85 97.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -40.98 -43.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' LYS . 52.5 m -34.24 -57.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 81' ' ' ASN . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.429 ' N ' HG23 ' A' ' 80' ' ' VAL . 49.0 m-20 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.685 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 171' ' ' MET . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 126' ' ' ILE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.502 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 118' ' ' GLU . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' GLU . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.693 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 141' ' ' VAL . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 137' ' ' VAL . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 147' ' ' ARG . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HD2' HG22 ' A' ' 143' ' ' THR . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 144' ' ' HIS . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.599 ' HG3' HD12 ' A' ' 154' ' ' ILE . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.502 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 151' ' ' GLN . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 145' ' ' LEU . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.822 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 99' ' ' ILE . 13.7 mtp -123.51 95.98 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -77.73 113.71 34.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.77 3.82 2.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.77 51.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 173' ' ' PRO . 16.4 m-85 -45.64 -50.09 13.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 175' ' ' PHE . 3.3 mp0 -34.94 -45.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -93.08 168.29 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -118.15 143.75 46.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -149.38 131.82 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.65 -55.18 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.99 59.9 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.8 t -113.6 27.05 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.6 87.18 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 31.6 p -125.32 123.64 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.97 40.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt -116.29 -41.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 145' ' ' LEU . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.608 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 9.9 mm100 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' PHE . . . . . 0.416 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.6 OUTLIER 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.636 ' N ' HG22 ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -165.22 141.94 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -105.28 106.23 16.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 -78.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 61.64 41.06 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.13 37.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 -53.94 3.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -104.69 172.79 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.35 120.99 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -125.33 -177.37 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -122.07 -31.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.6 -51.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 -49.3 140.33 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' OD1' ' A' ' 134' ' ' ASN . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.608 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' HZ ' ' HB1' ' A' ' 86' ' ' ALA . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 35' ' ' VAL . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 29' ' ' LEU . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.424 HG21 HD21 ' A' ' 48' ' ' LEU . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 HG21 HG21 ' A' ' 80' ' ' VAL . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 38' ' ' ILE . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.37 119.96 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -46.93 -48.01 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.43 127.63 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -48.43 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' THR . 7.2 tptm -38.81 -43.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 89.4 m -35.58 -56.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 61' ' ' ILE . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 83' ' ' VAL . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HG3' ' HE1' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 37' ' ' PHE . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE1' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.8 m-80 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 170' ' ' LEU . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 171' ' ' MET . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.491 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.802 HD22 HG23 ' A' ' 126' ' ' ILE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.554 ' CE1' ' SD ' ' A' ' 171' ' ' MET . 0.3 OUTLIER -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.583 HG21 ' HB2' ' A' ' 118' ' ' GLU . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 HD22 ' A' ' 103' ' ' LEU . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.608 HG11 ' CA ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.624 ' OD1' HD22 ' A' ' 17' ' ' LEU . 50.3 m-80 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 142' ' ' ILE . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.595 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 2.6 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.434 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' ALA . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 98' ' ' LEU . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.554 ' SD ' ' CE1' ' A' ' 104' ' ' HIS . 37.7 mmm -131.54 106.62 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.8 112.92 36.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -129.45 91.67 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 176' ' ' GLU . 59.8 m-85 -102.81 -45.35 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 175' ' ' PHE . 68.4 mt-10 -34.31 -38.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 175' ' ' PHE . 8.2 m120 -118.5 167.08 11.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -146.42 108.8 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.47 22.14 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 180' ' ' PHE . 67.3 t80 42.14 41.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 93.0 mt -156.97 149.28 23.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 t 66.89 43.68 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.6 94.93 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.172 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 82.1 p -119.87 155.05 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.82 41.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt -106.49 -38.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.75 ' CE1' HD11 ' A' ' 108' ' ' LEU . 19.2 m-70 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 111' ' ' ALA . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 196' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 63.86 42.24 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -83.36 -52.57 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.16 159.66 53.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -79.31 -47.38 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.2 m -56.18 141.44 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.2 -40.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -108.29 163.41 13.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.947 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.85 122.96 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.6 p -130.0 157.84 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.69 -33.33 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 6.1 t80 -108.05 -52.44 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.96 158.13 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD23 HG12 ' A' ' 133' ' ' VAL . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 28' ' ' PRO . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 73' ' ' LEU . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' SER . 98.6 t -72.91 114.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t -36.63 -43.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.24 125.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -41.29 98.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -44.85 -39.0 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m -40.59 -53.21 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD11 ' HG2' ' A' ' 33' ' ' LYS . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 76' ' ' MET . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.526 ' N ' HG23 ' A' ' 80' ' ' VAL . 39.6 m-20 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 170' ' ' LEU . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.521 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.739 HD22 HG23 ' A' ' 126' ' ' ILE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 119' ' ' ARG . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.424 ' CB ' HG21 ' A' ' 113' ' ' ILE . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 113' ' ' ILE . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.739 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.572 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 17' ' ' LEU . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.48 ' OD1' HD22 ' A' ' 17' ' ' LEU . 22.0 m-80 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 142' ' ' ILE . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' THR . . . . . 0.417 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 195' ' ' ILE . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.417 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 144' ' ' HIS . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 98' ' ' LEU . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp -130.94 107.22 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -85.4 120.54 73.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.73 113.58 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.51 -48.43 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.62 44.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.85 164.77 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -52.51 -30.33 29.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 180' ' ' PHE . 29.7 mt-10 -85.97 23.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 179' ' ' GLU . 8.0 t80 -35.49 -53.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 22.0 mt -78.2 67.03 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.861 ' O ' HG23 ' A' ' 184' ' ' THR . 3.6 m -129.96 -36.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 182' ' ' SER . 47.0 p -36.25 124.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 182' ' ' SER . 70.0 p -137.9 149.3 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 17.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 190' ' ' VAL . 10.3 mt -95.35 -43.36 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 64.6 m80 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.473 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.486 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 12.0 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.414 HE22 ' N ' ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.414 ' N ' HE22 ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -147.22 177.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -146.09 132.51 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -73.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -127.51 -46.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -145.45 130.26 18.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.16 -39.42 12.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -100.98 161.21 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -90.88 142.65 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -147.41 168.22 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -93.65 -29.77 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -107.09 -51.56 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -61.13 154.31 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 133' ' ' VAL . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' LEU . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.741 HD13 ' OH ' ' A' ' 49' ' ' TYR . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HA ' HD13 ' A' ' 43' ' ' LEU . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.741 ' OH ' HD13 ' A' ' 38' ' ' ILE . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 53' ' ' GLY . 63.7 t -72.82 127.31 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.2 p -45.52 -45.78 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 85.09 143.83 6.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.05 98.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -38.97 -44.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' LYS . 91.0 m -34.63 -56.72 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 61' ' ' ILE . 60.4 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 76' ' ' MET . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.556 ' SD ' HD23 ' A' ' 73' ' ' LEU . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.452 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 171' ' ' MET . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD22 HG23 ' A' ' 126' ' ' ILE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 113' ' ' ILE . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 197' ' ' GLN . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 103' ' ' LEU . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.53 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 17' ' ' LEU . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.504 ' HE2' HG22 ' A' ' 127' ' ' VAL . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 141' ' ' VAL . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 137' ' ' VAL . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.452 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.899 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.617 ' HG3' HD12 ' A' ' 154' ' ' ILE . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.504 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.617 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.473 HG22 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.442 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.658 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.899 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.729 ' HG3' HD12 ' A' ' 99' ' ' ILE . 55.2 mtp -122.73 90.72 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -66.6 118.16 51.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.409 ' C ' ' OD1' ' A' ' 174' ' ' ASP . 54.2 Cg_endo -69.74 179.28 3.8 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.715 2.276 . . . . 0.0 112.395 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 0.2 OUTLIER -175.21 147.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 176' ' ' GLU . 43.0 m-85 -129.43 -41.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 175' ' ' PHE . 42.8 mt-10 -36.75 -72.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.88 -177.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.414 ' C ' ' HG2' ' A' ' 179' ' ' GLU . 23.9 mmt180 -45.83 105.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.414 ' HG2' ' C ' ' A' ' 178' ' ' ARG . 34.0 mm-40 -150.18 131.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.2 t80 -88.86 -173.6 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.577 HD23 ' CE2' ' A' ' 180' ' ' PHE . 3.5 mm? -53.45 154.99 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 99.0 p -96.75 44.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.7 t -106.37 55.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 44.4 p -130.61 120.91 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -92.28 -28.44 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 190' ' ' VAL . 14.6 mt -49.22 -46.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 5.2 m80 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 186' ' ' ILE . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.552 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.427 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -52.36 117.96 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -76.83 151.95 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 47.03 10.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -81.55 47.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -144.49 135.85 25.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.66 8.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -101.16 164.52 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.03 113.37 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -118.71 -178.19 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -111.92 -30.46 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.03 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.08 148.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 28' ' ' PRO . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' VAL . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.408 ' O ' HG22 ' A' ' 154' ' ' ILE . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 38' ' ' ILE . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 38' ' ' ILE . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 53' ' ' GLY . 79.0 t -67.97 138.09 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 p -65.74 -34.85 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.635 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 71.41 140.96 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -52.24 101.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -41.32 -41.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m -39.24 -49.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 76' ' ' MET . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.589 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 170' ' ' LEU . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.672 HD22 HG23 ' A' ' 126' ' ' ILE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.517 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.2 OUTLIER -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 122' ' ' ALA . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.664 ' HB2' HG21 ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.799 HD21 ' HG3' ' A' ' 197' ' ' GLN . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.672 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 HD23 ' A' ' 17' ' ' LEU . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.411 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 166' ' ' PHE . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 44' ' ' CYS . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' A' ' 164' ' ' ILE . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 145' ' ' LEU . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 195' ' ' ILE . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 161' ' ' ASN . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.687 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp -126.03 106.9 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -112.49 96.67 37.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -126.3 35.2 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.4 ' HB3' ' OD1' ' A' ' 177' ' ' ASN . 18.1 m-85 -64.87 -45.62 85.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 63.79 39.75 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.4 ' OD1' ' HB3' ' A' ' 175' ' ' PHE . 0.5 OUTLIER -142.92 113.39 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 182' ' ' SER . 6.4 tpt180 -84.88 51.54 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.53 -10.66 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.571 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.5 t80 -152.22 -179.91 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 180' ' ' PHE . 2.9 mm? -54.64 144.13 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB2' ' NH2' ' A' ' 178' ' ' ARG . 15.4 t -61.07 -31.85 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 10.9 t -66.88 137.26 56.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.48 -60.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 58.34 38.9 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 18.4 mt -123.64 -49.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 163' ' ' SER . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.799 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.433 HG22 HE22 ' A' ' 197' ' ' GLN . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.36 82.91 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m 54.49 42.64 31.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 103.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -71.97 100.09 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t 61.45 37.17 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.0 3.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -89.91 167.68 12.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.16 133.84 37.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -143.8 162.08 36.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -107.51 -28.94 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 2.3 t80 -107.51 -52.83 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.03 159.01 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.583 HD22 ' OD1' ' A' ' 134' ' ' ASN . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.595 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 136' ' ' ASP . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 65' ' ' PHE . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 31' ' ' VAL . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.773 HD13 ' OH ' ' A' ' 49' ' ' TYR . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 148' ' ' VAL . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 48' ' ' LEU . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.03 140.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -96.6 121.21 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -78.51 142.4 25.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 55' ' ' LYS . 64.4 t-20 -34.44 110.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' ASN . 8.4 tptp -34.14 -44.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' LYS . 25.3 m -35.3 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' HE1' HD13 ' A' ' 29' ' ' LEU . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.519 HD23 ' SD ' ' A' ' 76' ' ' MET . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.519 ' SD ' HD23 ' A' ' 73' ' ' LEU . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' O ' ' NH2' ' A' ' 172' ' ' ARG . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.814 HD22 HG23 ' A' ' 126' ' ' ILE . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.499 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.414 HG22 ' ND1' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HB2' HG21 ' A' ' 113' ' ' ILE . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' ND1' HG22 ' A' ' 117' ' ' THR . 33.6 m80 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.814 HG23 HD22 ' A' ' 103' ' ' LEU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.555 HG12 HD23 ' A' ' 17' ' ' LEU . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.583 ' OD1' HD22 ' A' ' 17' ' ' LEU . 35.1 m-80 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.483 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.672 HD21 ' CE1' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.765 ' C ' HD23 ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.873 HG22 ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.592 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.583 HG22 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 145' ' ' LEU . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 195' ' ' ILE . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp -120.37 58.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 171' ' ' MET . 64.8 mtt180 -33.64 96.71 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 171' ' ' MET . 53.9 Cg_endo -69.7 139.39 40.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.73 58.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 176' ' ' GLU . 11.3 m-85 -119.99 -37.47 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.553 ' OE2' ' CZ ' ' A' ' 180' ' ' PHE . 48.0 mm-40 -34.43 -43.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.462 ' HB2' ' NH1' ' A' ' 178' ' ' ARG . 9.4 ttm105 -70.7 -179.15 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 178' ' ' ARG . 47.0 mm-40 -33.85 99.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CZ ' ' OE2' ' A' ' 176' ' ' GLU . 5.2 t80 -99.24 179.18 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.1 mt 66.46 32.59 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 2.0 t -173.01 105.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 184' ' ' THR . 5.3 t -162.7 137.32 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 183' ' ' THR . 81.0 p -33.55 -49.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt 73.76 27.59 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt -102.38 -33.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.572 ' CD2' HD21 ' A' ' 108' ' ' LEU . 11.1 m80 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.418 HD11 HD13 ' A' ' 145' ' ' LEU . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -80.91 177.42 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -132.75 -43.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.22 59.69 6.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -109.51 142.68 40.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -63.97 166.5 7.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.2 -41.14 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.571 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.3 p90 -105.19 169.54 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.95 134.13 34.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -139.94 176.14 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -119.16 -35.38 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.411 ' HA ' ' SD ' ' A' ' 15' ' ' MET . 17.6 t80 -102.19 -32.67 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -80.27 122.83 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 12' ' ' TYR . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' A' ' 87' ' ' LEU . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.463 ' CB ' HD12 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.477 HG21 HG21 ' A' ' 80' ' ' VAL . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CD1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 53' ' ' GLY . 60.3 t -71.54 126.67 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -47.55 -43.63 25.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 84.62 134.51 2.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 t30 -53.61 93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' ASN . 3.1 tptm -35.04 -43.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 93.0 m -36.01 -56.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 29' ' ' LEU . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 45' ' ' THR . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 80' ' ' VAL . 20.6 m-80 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 31' ' ' VAL . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.847 HD22 HG23 ' A' ' 126' ' ' ILE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CD2' HG22 ' A' ' 99' ' ' ILE . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 187' ' ' HIS . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.887 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 118' ' ' GLU . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.43 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.557 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.847 HG23 HD22 ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.495 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 25.8 m-80 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 137' ' ' VAL . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.547 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.428 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.491 HG22 HD11 ' A' ' 43' ' ' LEU . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.549 ' CG ' HG22 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp -133.14 49.97 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 171' ' ' MET . 9.8 ptm180 -33.87 139.46 0.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.712 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.45 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 12.0 t0 74.99 40.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.16 -21.99 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 54.25 50.23 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 178' ' ' ARG . 13.2 t-20 -133.57 173.45 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 177' ' ' ASN . 6.2 tpt180 -33.72 119.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -66.77 -13.5 61.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PHE . . . . . 0.626 ' O ' HG22 ' A' ' 183' ' ' THR . 2.1 t80 -89.23 -36.81 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.7 mt -87.95 -49.18 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 184' ' ' THR . 39.4 t -38.72 -41.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 183' ' ' THR . 9.0 t -51.17 85.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 182' ' ' SER . 16.0 p -137.31 132.72 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -100.79 35.91 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.758 HG22 HG23 ' A' ' 190' ' ' VAL . 2.8 mm -91.96 -51.2 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 108' ' ' LEU . 8.9 m-70 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.887 HG22 ' CB ' ' A' ' 111' ' ' ALA . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 195' ' ' ILE . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 192' ' ' GLU . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.557 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 11.4 mm100 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' VAL . . . . . 0.475 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.13 42.89 21.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -107.97 82.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.5 110.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -81.51 -43.76 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.34 -45.93 61.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.98 -43.03 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -77.96 165.13 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.282 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.27 117.53 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -117.74 125.72 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.28 -33.57 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -119.33 -46.65 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -51.36 152.12 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' ILE . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.835 HD13 ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.835 ' OH ' HD13 ' A' ' 38' ' ' ILE . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.57 129.57 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -62.24 125.4 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -75.44 111.25 3.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' GLY . 31.8 t-20 -34.41 101.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -34.31 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -40.8 -56.49 2.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' VAL . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.569 ' H ' HG23 ' A' ' 79' ' ' THR . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CE1' HD21 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD21 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 171' ' ' MET . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD22 HG23 ' A' ' 126' ' ' ILE . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 0.2 OUTLIER -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.633 HG21 ' HB2' ' A' ' 118' ' ' GLU . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 197' ' ' GLN . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.602 HG23 HD22 ' A' ' 103' ' ' LEU . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.632 HG11 ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 142' ' ' ILE . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 138' ' ' PHE . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.454 ' CG ' HG13 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 162' ' ' LEU . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.542 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.429 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp -150.92 117.59 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -94.64 128.82 38.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.447 ' HD3' ' CH2' ' A' ' 167' ' ' TRP . 53.5 Cg_endo -69.83 0.29 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.49 51.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' GLU . 0.3 OUTLIER -66.62 -40.94 89.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' PHE . 31.6 mt-10 -38.15 -35.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -84.93 147.34 26.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 179' ' ' GLU . 51.0 mtm-85 -70.35 -38.81 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 178' ' ' ARG . 36.7 mt-10 -34.58 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -101.76 177.81 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.0 mt 53.94 39.71 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 183' ' ' THR . 17.6 m -123.9 -38.89 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 182' ' ' SER . 1.0 OUTLIER -37.66 135.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 23.5 p -86.05 -11.54 52.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 184' ' ' THR . 5.4 pttp 46.53 26.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ILE . . . . . 0.401 HD12 ' HB ' ' A' ' 184' ' ' THR . 40.8 mt -101.53 -37.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 163' ' ' SER . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.457 ' HG3' HD21 ' A' ' 120' ' ' LEU . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 200' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 202' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 0.1 OUTLIER 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' ILE . . . . . 0.447 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.952 0.406 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.998 HD23 HG12 ' A' ' 133' ' ' VAL . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' LEU . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 136' ' ' ASP . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 38' ' ' ILE . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' HG21 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.736 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.2 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.764 0.316 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.409 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' VAL . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.736 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.633 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' HIS . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 101' ' ' TYR . 2.6 m170 -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 187' ' ' HIS . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HB2' HG21 ' A' ' 113' ' ' ILE . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.521 HG22 ' HE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.998 HG12 HD23 ' A' ' 17' ' ' LEU . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.506 HD22 HD12 ' A' ' 98' ' ' LEU . 16.4 m120 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.521 ' HE1' HG22 ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.583 ' O ' HD11 ' A' ' 27' ' ' ILE . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.591 HG22 ' SG ' ' A' ' 198' ' ' CYS . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.465 ' CG ' HG13 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.674 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.549 ' HG3' HD12 ' A' ' 154' ' ' ILE . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.458 ' HB2' HG23 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.674 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.6 HG22 HG23 ' A' ' 190' ' ' VAL . 15.4 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.357 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 108' ' ' LEU . 22.5 m170 -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.6 HG23 HG22 ' A' ' 186' ' ' ILE . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 195' ' ' ILE . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.591 ' SG ' HG22 ' A' ' 142' ' ' ILE . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 9.3 t-20 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 CA--C 1.526 0.031 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 133' ' ' VAL . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 136' ' ' ASP . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' ' 35' ' ' VAL . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 31' ' ' VAL . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CD2' HG21 ' A' ' 83' ' ' VAL . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 35' ' ' VAL . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 80' ' ' VAL . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.532 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.532 ' H ' HG23 ' A' ' 79' ' ' THR . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 37' ' ' PHE . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 134' ' ' ASN . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.716 HD12 ' HG3' ' A' ' 171' ' ' MET . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 126' ' ' ILE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.3 m170 -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 186' ' ' ILE . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.524 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.437 HG22 ' CD2' ' A' ' 121' ' ' HIS . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.437 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.9 m-70 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.6 HG23 HD22 ' A' ' 103' ' ' LEU . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.564 HG12 HD23 ' A' ' 17' ' ' LEU . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.71 HD22 HD12 ' A' ' 98' ' ' LEU . 6.4 m120 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.596 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 141' ' ' VAL . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 137' ' ' VAL . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.484 HG22 ' SG ' ' A' ' 198' ' ' CYS . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.438 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.529 HG22 HD11 ' A' ' 43' ' ' LEU . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' ' 164' ' ' ILE . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 161' ' ' ASN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.733 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.716 ' HG3' HD12 ' A' ' 99' ' ' ILE . 27.4 mtp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.523 HG22 HG23 ' A' ' 190' ' ' VAL . 28.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.896 0.379 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.541 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 13.4 m-70 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 164' ' ' ILE . 32.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.519 ' HG2' HD21 ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 142' ' ' ILE . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.9 t-20 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.594 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 17' ' ' LEU . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 HG13 ' A' ' 133' ' ' VAL . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 136' ' ' ASP . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 31' ' ' VAL . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' VAL . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' PHE . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' OH ' HD13 ' A' ' 38' ' ' ILE . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.496 ' SD ' HD23 ' A' ' 73' ' ' LEU . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 81' ' ' ASN . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.552 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 31' ' ' VAL . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.847 HD12 HD22 ' A' ' 134' ' ' ASN . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 130' ' ' PHE . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 126' ' ' ILE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.518 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' A' ' 187' ' ' HIS . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.488 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.587 HG21 ' HB2' ' A' ' 118' ' ' GLU . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 197' ' ' GLN . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.529 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.594 HG11 ' CA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.847 HD22 HD12 ' A' ' 98' ' ' LEU . 4.9 m120 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.523 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.461 ' CG ' HG13 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 162' ' ' LEU . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.591 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.591 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.653 HG23 HE21 ' A' ' 188' ' ' GLN . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.471 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 15.1 mtp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.46 ' HB ' HD22 ' A' ' 108' ' ' LEU . 68.4 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.652 ' CD2' HD21 ' A' ' 108' ' ' LEU . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.653 HE21 HG23 ' A' ' 164' ' ' ILE . 12.8 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.488 HG22 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 195' ' ' ILE . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.509 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 192' ' ' GLU . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.419 ' HG3' HD21 ' A' ' 120' ' ' LEU . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 38' ' ' ILE . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 83' ' ' VAL . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.77 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.684 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.77 ' OH ' HD13 ' A' ' 38' ' ' ILE . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.3 t30 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 73' ' ' LEU . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.703 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 134' ' ' ASN . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.535 HD12 ' HG3' ' A' ' 171' ' ' MET . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.747 HD22 HG23 ' A' ' 126' ' ' ILE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 186' ' ' ILE . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 119' ' ' ARG . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.747 HG23 HD22 ' A' ' 103' ' ' LEU . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.558 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.613 HD22 HD12 ' A' ' 98' ' ' LEU . 10.3 m120 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.607 ' CE1' HD11 ' A' ' 142' ' ' ILE . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.607 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 166' ' ' PHE . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.494 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.494 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 164' ' ' ILE . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 145' ' ' LEU . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 161' ' ' ASN . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.535 ' HG3' HD12 ' A' ' 99' ' ' ILE . 67.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.536 HG22 HG23 ' A' ' 190' ' ' VAL . 17.6 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 186' ' ' ILE . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.468 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 145' ' ' LEU . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 8.0 mm-40 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.966 HD22 ' ND2' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CA ' HG11 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 28' ' ' PRO . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' VAL . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CB ' HD12 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' HD13 ' A' ' 38' ' ' ILE . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HB1' ' A' ' 82' ' ' ALA . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HZ1' ' CG ' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.559 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' HD23 ' A' ' 73' ' ' LEU . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 61' ' ' ILE . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD13 ' A' ' 61' ' ' ILE . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.4 HD12 ' ND2' ' A' ' 134' ' ' ASN . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.568 HD12 ' HG3' ' A' ' 171' ' ' MET . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' HIS . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.473 HD21 ' CE1' ' A' ' 187' ' ' HIS . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' A' ' 118' ' ' GLU . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.652 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 113' ' ' ILE . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.523 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.966 ' ND2' HD22 ' A' ' 17' ' ' LEU . 4.8 m120 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.566 HG22 ' SG ' ' A' ' 198' ' ' CYS . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.414 HG12 ' CD ' ' A' ' 188' ' ' GLN . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.568 ' HG3' HD12 ' A' ' 99' ' ' ILE . 6.6 mtp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.577 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.857 0.361 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CE1' HD21 ' A' ' 108' ' ' LEU . 70.6 m-70 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.414 ' CD ' HG12 ' A' ' 164' ' ' ILE . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 142' ' ' ILE . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.2 m-85 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.94 0.4 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.804 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 133' ' ' VAL . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' THR . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' VAL . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 37' ' ' PHE . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 38' ' ' ILE . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 38' ' ' ILE . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 81' ' ' ASN . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 31' ' ' VAL . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 126' ' ' ILE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' ' 126' ' ' ILE . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 119' ' ' ARG . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.659 HG23 HD22 ' A' ' 103' ' ' LEU . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 18' ' ' GLN . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.804 ' ND2' HD22 ' A' ' 17' ' ' LEU . 11.1 m120 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 27' ' ' ILE . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 137' ' ' VAL . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.456 HG22 ' HG ' ' A' ' 43' ' ' LEU . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 154' ' ' ILE . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 151' ' ' GLN . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.452 ' HA ' HD12 ' A' ' 164' ' ' ILE . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.405 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 161' ' ' ASN . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.453 ' HB ' HD22 ' A' ' 108' ' ' LEU . 39.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.645 ' CE1' HD21 ' A' ' 108' ' ' LEU . 50.3 m-70 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 164' ' ' ILE . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 163' ' ' SER . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.464 ' SG ' HG22 ' A' ' 142' ' ' ILE . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 7.8 mm-40 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.701 HD22 ' ND2' ' A' ' 134' ' ' ASN . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 HG13 ' A' ' 133' ' ' VAL . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' A' ' 32' ' ' GLU . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.494 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 71' ' ' ILE . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 38' ' ' ILE . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 HG22 ' A' ' 148' ' ' VAL . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' O ' HG22 ' A' ' 154' ' ' ILE . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG21 ' A' ' 80' ' ' VAL . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.796 0.331 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CE1' HD23 ' A' ' 29' ' ' LEU . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 33' ' ' LYS . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.4 t30 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.445 HD23 ' SD ' ' A' ' 76' ' ' MET . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.445 ' SD ' HD23 ' A' ' 73' ' ' LEU . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 HG21 HG21 ' A' ' 45' ' ' THR . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.631 ' H ' HG23 ' A' ' 79' ' ' THR . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 170' ' ' LEU . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.505 HD12 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.48 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG23 ' A' ' 126' ' ' ILE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 126' ' ' ILE . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.63 HD22 ' HB ' ' A' ' 186' ' ' ILE . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.779 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 103' ' ' LEU . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.611 HG11 ' HA ' ' A' ' 18' ' ' GLN . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.701 ' ND2' HD22 ' A' ' 17' ' ' LEU . 8.4 m120 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 17' ' ' LEU . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 137' ' ' VAL . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 138' ' ' PHE . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.512 HG22 ' HD2' ' A' ' 147' ' ' ARG . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.452 ' ND1' HG13 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.44 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.512 ' HD2' HG22 ' A' ' 143' ' ' THR . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 43' ' ' LEU . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.605 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 44' ' ' CYS . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 164' ' ' ILE . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.462 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 98' ' ' LEU . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.505 ' CG ' HD12 ' A' ' 99' ' ' ILE . 33.2 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.632 HG22 HG23 ' A' ' 190' ' ' VAL . 47.0 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.912 0.387 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 111' ' ' ALA . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 133' ' ' VAL . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 83' ' ' VAL . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 148' ' ' VAL . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.419 HG21 HG21 ' A' ' 80' ' ' VAL . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.589 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 82' ' ' ALA . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.456 ' N ' HG23 ' A' ' 80' ' ' VAL . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.655 ' H ' HG23 ' A' ' 79' ' ' THR . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 170' ' ' LEU . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 171' ' ' MET . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.698 ' CE1' ' CE1' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 126' ' ' ILE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.698 ' CE1' ' CE1' ' A' ' 101' ' ' TYR . 2.7 m170 -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.624 HD22 ' HB ' ' A' ' 186' ' ' ILE . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.552 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.591 HG21 ' HB2' ' A' ' 118' ' ' GLU . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 197' ' ' GLN . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.708 HG23 HD22 ' A' ' 103' ' ' LEU . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.641 HG11 ' CA ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.404 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.543 ' O ' HG23 ' A' ' 148' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.773 HD21 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.404 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 43' ' ' LEU . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.2 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.469 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.469 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.645 ' HA ' HD12 ' A' ' 164' ' ' ILE . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 161' ' ' ASN . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.773 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 98' ' ' LEU . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.624 ' HB ' HD22 ' A' ' 108' ' ' LEU . 50.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.814 0.34 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 111' ' ' ALA . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.425 ' HG3' HD21 ' A' ' 120' ' ' LEU . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.404 ' N ' HE22 ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' LEU . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.458 HG23 ' HD2' ' A' ' 28' ' ' PRO . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' ILE . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CB ' HD12 ' A' ' 73' ' ' LEU . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 35' ' ' VAL . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 39' ' ' GLU . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.782 0.325 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' OD1' ' HE3' ' A' ' 76' ' ' MET . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.475 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.475 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.529 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 82' ' ' ALA . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.975 HD12 ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 126' ' ' ILE . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 118' ' ' GLU . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HB2' HG21 ' A' ' 113' ' ' ILE . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.634 HG23 HD22 ' A' ' 103' ' ' LEU . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.56 HG11 ' HA ' ' A' ' 18' ' ' GLN . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.598 ' ND2' HD22 ' A' ' 17' ' ' LEU . 7.0 m120 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 137' ' ' VAL . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.482 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.774 HD21 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CG ' HG22 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.411 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 145' ' ' LEU . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.774 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.975 ' HB2' HD12 ' A' ' 99' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.43 HG22 HG23 ' A' ' 190' ' ' VAL . 57.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.601 ' CD2' HD21 ' A' ' 108' ' ' LEU . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.433 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.43 HG23 HG22 ' A' ' 186' ' ' ILE . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.661 HD11 HD13 ' A' ' 145' ' ' LEU . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.4 ' HG2' HD21 ' A' ' 120' ' ' LEU . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.2 t-20 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 137' ' ' VAL . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.547 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' LEU . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.608 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.549 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' ND1' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 83' ' ' VAL . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' OH ' ' A' ' 49' ' ' TYR . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD22 ' NH1' ' A' ' 147' ' ' ARG . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.4 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.768 0.318 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.773 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 11.8 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 73' ' ' LEU . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 37' ' ' PHE . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 134' ' ' ASN . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.532 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 129' ' ' LYS . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' CD2' ' A' ' 121' ' ' HIS . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB2' HG21 ' A' ' 113' ' ' ILE . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.743 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.441 ' CD2' HG22 ' A' ' 117' ' ' THR . 9.5 m-70 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.547 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HD2' HD22 ' A' ' 103' ' ' LEU . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.547 HG11 ' CA ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.52 HD22 HD12 ' A' ' 98' ' ' LEU . 11.6 m120 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 137' ' ' VAL . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.438 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.599 ' NH1' HD22 ' A' ' 43' ' ' LEU . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 43' ' ' LEU . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.756 HG23 HE21 ' A' ' 188' ' ' GLN . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 27.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.618 ' CD2' HD21 ' A' ' 108' ' ' LEU . 11.8 m170 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.756 HE21 HG23 ' A' ' 164' ' ' ILE . 10.3 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 120' ' ' LEU . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . 0.556 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.459 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.892 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 133' ' ' VAL . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.511 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' HG23 ' A' ' 41' ' ' THR . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HA ' HD13 ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' PHE . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.775 0.322 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.405 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' VAL . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.584 HD23 HD22 ' A' ' 170' ' ' LEU . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.596 HD12 ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 126' ' ' ILE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.7 m170 -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 186' ' ' ILE . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.538 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.485 HG23 HD22 ' A' ' 103' ' ' LEU . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.511 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.583 HD22 HD12 ' A' ' 98' ' ' LEU . 13.0 m120 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.427 ' O ' HD11 ' A' ' 27' ' ' ILE . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.575 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.471 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.664 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.572 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.537 HG22 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' A' ' 145' ' ' LEU . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 164' ' ' ILE . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.664 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.584 HD22 HD23 ' A' ' 98' ' ' LEU . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.596 ' HG3' HD12 ' A' ' 99' ' ' ILE . 28.9 mtp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.538 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 20.3 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 186' ' ' ILE . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.631 HG12 HD11 ' A' ' 195' ' ' ILE . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 195' ' ' ILE . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 192' ' ' GLU . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 142' ' ' ILE . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.448 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.877 0.37 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 133' ' ' VAL . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 136' ' ' ASP . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' A' ' 38' ' ' ILE . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 83' ' ' VAL . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CG2' ' A' ' 38' ' ' ILE . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 95.9 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.767 0.318 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.3 t30 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 37' ' ' PHE . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.684 HD12 HD22 ' A' ' 134' ' ' ASN . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.664 HD12 ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' HIS . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.474 HD22 ' HB ' ' A' ' 186' ' ' ILE . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' A' ' 118' ' ' GLU . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.623 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 120' ' ' LEU . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.698 ' ND2' HD22 ' A' ' 17' ' ' LEU . 5.9 m120 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 27' ' ' ILE . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.667 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 43' ' ' LEU . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.485 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.485 HG22 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 164' ' ' ILE . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 161' ' ' ASN . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.667 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 98' ' ' LEU . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.664 ' HG3' HD12 ' A' ' 99' ' ' ILE . 25.3 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.784 HG22 HG23 ' A' ' 190' ' ' VAL . 20.4 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 186' ' ' ILE . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.784 HG23 HG22 ' A' ' 186' ' ' ILE . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 120' ' ' LEU . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.937 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.473 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' LEU . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' VAL . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.607 HD13 ' OH ' ' A' ' 49' ' ' TYR . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' A' ' 43' ' ' LEU . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 39' ' ' GLU . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.685 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.773 0.321 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 81' ' ' ASN . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.429 ' N ' HG23 ' A' ' 80' ' ' VAL . 16.7 m120 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.685 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.671 HD12 HD22 ' A' ' 134' ' ' ASN . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 171' ' ' MET . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 126' ' ' ILE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CE1' ' CD2' ' A' ' 101' ' ' TYR . 2.9 m170 -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 118' ' ' GLU . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' CD2' ' A' ' 121' ' ' HIS . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.693 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.595 ' CD2' HG22 ' A' ' 117' ' ' THR . 27.4 m-70 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.671 HD22 HD12 ' A' ' 98' ' ' LEU . 6.3 m120 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 141' ' ' VAL . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 137' ' ' VAL . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 147' ' ' ARG . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HD2' HG22 ' A' ' 143' ' ' THR . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 144' ' ' HIS . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.599 ' HG3' HD12 ' A' ' 154' ' ' ILE . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.502 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 151' ' ' GLN . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 145' ' ' LEU . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.822 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 99' ' ' ILE . 13.7 mtp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.868 0.366 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 145' ' ' LEU . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.608 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 36.4 mm-40 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . 0.416 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.636 ' N ' HG22 ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD22 ' ND2' ' A' ' 134' ' ' ASN . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.608 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.501 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.654 ' HZ ' ' HB1' ' A' ' 86' ' ' ALA . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 35' ' ' VAL . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 29' ' ' LEU . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.424 HG21 HD21 ' A' ' 48' ' ' LEU . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.423 HG21 HG21 ' A' ' 80' ' ' VAL . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 38' ' ' ILE . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.34 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 61' ' ' ILE . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 83' ' ' VAL . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HG3' ' HE1' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 10.0 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.477 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 3.3 t30 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 37' ' ' PHE . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.477 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE1' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.49 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 170' ' ' LEU . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 171' ' ' MET . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.802 HD22 HG23 ' A' ' 126' ' ' ILE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.2 m170 -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.583 HG21 ' HB2' ' A' ' 118' ' ' GLU . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 HD22 ' A' ' 103' ' ' LEU . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.608 HG11 ' CA ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.774 ' ND2' HD22 ' A' ' 17' ' ' LEU . 15.6 m120 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 142' ' ' ILE . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.595 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.3 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.434 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' ALA . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 98' ' ' LEU . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 169' ' ' THR . 37.7 mmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.869 0.366 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.75 ' CE1' HD11 ' A' ' 108' ' ' LEU . 19.2 m-70 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 111' ' ' ALA . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 196' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.938 0.399 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 28' ' ' PRO . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 73' ' ' LEU . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 4.5 t30 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD11 ' HG2' ' A' ' 33' ' ' LYS . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 76' ' ' MET . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.526 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.5 m120 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 170' ' ' LEU . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.557 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.739 HD22 HG23 ' A' ' 126' ' ' ILE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 119' ' ' ARG . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 121' ' ' HIS . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.424 ' CB ' HG21 ' A' ' 113' ' ' ILE . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 113' ' ' ILE . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.514 ' CD2' HG22 ' A' ' 117' ' ' THR . 25.4 m-70 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.739 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.572 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 17' ' ' LEU . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.624 ' ND2' HD22 ' A' ' 17' ' ' LEU . 6.5 m120 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 142' ' ' ILE . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . 0.417 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 195' ' ' ILE . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.417 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 144' ' ' HIS . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 188' ' ' GLN . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 98' ' ' LEU . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 190' ' ' VAL . 10.3 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.36 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 98.0 m-70 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 164' ' ' ILE . 11.1 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.473 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.486 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.8 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.414 HE22 ' N ' ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.414 ' N ' HE22 ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 133' ' ' VAL . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' LEU . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.741 HD13 ' OH ' ' A' ' 49' ' ' TYR . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HA ' HD13 ' A' ' 43' ' ' LEU . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.741 ' OH ' HD13 ' A' ' 38' ' ' ILE . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.81 0.338 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.0 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.5 t30 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 76' ' ' MET . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.556 ' SD ' HD23 ' A' ' 73' ' ' LEU . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.452 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 171' ' ' MET . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.556 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD22 HG23 ' A' ' 126' ' ' ILE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 187' ' ' HIS . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 113' ' ' ILE . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 197' ' ' GLN . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 103' ' ' LEU . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.53 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 17' ' ' LEU . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.504 ' HE2' HG22 ' A' ' 127' ' ' VAL . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 141' ' ' VAL . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 137' ' ' VAL . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.452 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.899 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.617 ' HG3' HD12 ' A' ' 154' ' ' ILE . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.504 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.617 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.473 HG22 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.442 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.658 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.899 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.729 ' HG3' HD12 ' A' ' 99' ' ' ILE . 55.2 mtp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 190' ' ' VAL . 14.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.858 0.361 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.461 ' CD2' HD21 ' A' ' 108' ' ' LEU . 5.2 m-70 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 186' ' ' ILE . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.552 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 120' ' ' LEU . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 28' ' ' PRO . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' VAL . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.408 ' O ' HG22 ' A' ' 154' ' ' ILE . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 38' ' ' ILE . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 38' ' ' ILE . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 79.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 76' ' ' MET . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.589 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 170' ' ' LEU . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.672 HD22 HG23 ' A' ' 126' ' ' ILE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.517 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 122' ' ' ALA . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CD2' ' A' ' 121' ' ' HIS . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.664 ' HB2' HG21 ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.799 HD21 ' HG3' ' A' ' 197' ' ' GLN . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.459 ' CD2' HG22 ' A' ' 117' ' ' THR . 19.1 m-70 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.408 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.672 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 HD23 ' A' ' 17' ' ' LEU . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.516 ' ND2' HD22 ' A' ' 17' ' ' LEU . 9.6 m120 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.411 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 166' ' ' PHE . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 44' ' ' CYS . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' A' ' 164' ' ' ILE . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 145' ' ' LEU . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 195' ' ' ILE . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 161' ' ' ASN . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.687 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 18.4 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 163' ' ' SER . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.799 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.433 HG22 HE22 ' A' ' 197' ' ' GLN . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 ' ND2' ' A' ' 134' ' ' ASN . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.44 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.595 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 136' ' ' ASP . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 65' ' ' PHE . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 31' ' ' VAL . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.773 HD13 ' OH ' ' A' ' 49' ' ' TYR . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 148' ' ' VAL . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 48' ' ' LEU . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.773 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' HE1' HD13 ' A' ' 29' ' ' LEU . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.519 HD23 ' SD ' ' A' ' 76' ' ' MET . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.519 ' SD ' HD23 ' A' ' 73' ' ' LEU . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.648 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.676 HD12 HD22 ' A' ' 134' ' ' ASN . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.814 HD22 HG23 ' A' ' 126' ' ' ILE . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.499 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.614 HG22 ' CD2' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HB2' HG21 ' A' ' 113' ' ' ILE . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.614 ' CD2' HG22 ' A' ' 117' ' ' THR . 19.2 m-70 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.814 HG23 HD22 ' A' ' 103' ' ' LEU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.555 HG12 HD23 ' A' ' 17' ' ' LEU . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.725 ' ND2' HD22 ' A' ' 17' ' ' LEU . 10.2 m120 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.483 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.672 HD21 ' CE1' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.765 ' C ' HD23 ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.873 HG22 ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.592 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.583 HG22 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 145' ' ' LEU . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 195' ' ' ILE . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.839 0.352 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.553 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 13.8 m-70 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.418 HD11 HD13 ' A' ' 145' ' ' LEU . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' A' ' 87' ' ' LEU . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.463 ' CB ' HD12 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.477 HG21 HG21 ' A' ' 80' ' ' VAL . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CD1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 29' ' ' LEU . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 45' ' ' THR . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 80' ' ' VAL . 13.2 m120 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 31' ' ' VAL . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.847 HD22 HG23 ' A' ' 126' ' ' ILE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CD2' HG22 ' A' ' 99' ' ' ILE . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 187' ' ' HIS . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.887 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 118' ' ' GLU . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 121' ' ' HIS . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.43 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.557 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.605 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.0 m-70 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.847 HG23 HD22 ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.495 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 10.5 m120 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 137' ' ' VAL . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.547 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.428 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.491 HG22 HD11 ' A' ' 43' ' ' LEU . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.549 ' CG ' HG22 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . 0.758 HG22 HG23 ' A' ' 190' ' ' VAL . 2.8 mm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.866 0.365 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 108' ' ' LEU . 8.9 m-70 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . 0.887 HG22 ' CB ' ' A' ' 111' ' ' ALA . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 195' ' ' ILE . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 192' ' ' GLU . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.557 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 32.6 mm-40 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.546 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . 0.475 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' ILE . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.835 HD13 ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.835 ' OH ' HD13 ' A' ' 38' ' ' ILE . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' VAL . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.569 ' H ' HG23 ' A' ' 79' ' ' THR . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CE1' HD21 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.476 HD21 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 171' ' ' MET . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.602 HD22 HG23 ' A' ' 126' ' ' ILE . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.633 HG21 ' HB2' ' A' ' 118' ' ' GLU . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 197' ' ' GLN . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.602 HG23 HD22 ' A' ' 103' ' ' LEU . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.632 HG11 ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.448 HD22 HD12 ' A' ' 98' ' ' LEU . 7.5 m120 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 142' ' ' ILE . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 138' ' ' PHE . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . 0.454 ' CG ' HG13 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 162' ' ' LEU . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' HIS . . . . . 0.542 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.429 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 163' ' ' SER . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.457 ' HG3' HD21 ' A' ' 120' ' ' LEU . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' ILE . . . . . 0.447 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 p -111.65 129.4 56.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 m -70.99 159.23 35.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.76 -96.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -54.68 -63.17 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.862 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -79.13 135.4 36.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.44 -47.1 85.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.48 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.25 160.7 19.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -81.85 120.3 25.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 97.8 p -119.89 162.05 19.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -98.22 -34.79 10.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.513 ' O ' HD21 ' A' ' 20' ' ' LEU . 68.8 t80 -105.51 -38.93 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 14.4 m-85 -69.85 168.77 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.51 -50.8 3.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.0 mtm -50.72 155.24 2.0 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.537 0.684 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 159.15 54.46 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.998 HD23 HG12 ' A' ' 133' ' ' VAL . 9.2 tp -52.7 -60.85 2.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.99 -33.05 18.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 12' ' ' TYR . 38.9 mt -73.67 -48.46 32.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 26' ' ' PRO . 18.2 m -74.79 168.42 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -141.18 154.8 46.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.17 -38.01 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.56 -45.31 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -134.88 107.49 10.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.6 Cg_endo -69.76 -25.32 28.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.583 HD11 ' O ' ' A' ' 136' ' ' ASP . 35.5 mm -87.54 133.9 37.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.628 0.727 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 54.2 Cg_endo -69.71 130.33 19.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.358 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -46.18 -55.1 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -38.51 -64.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -47.31 -43.22 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -63.78 -62.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -47.43 -45.75 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.5 m -66.66 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.689 ' HA ' HD12 ' A' ' 38' ' ' ILE . 77.8 t -53.91 -64.89 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -42.79 -42.43 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CD2' HG21 ' A' ' 83' ' ' VAL . 70.4 t80 -65.48 -47.81 74.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.4 mt -53.98 -52.07 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.49 -21.73 61.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.05 -36.19 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -96.93 40.98 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.26 119.98 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -100.67 21.43 13.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.9 p -121.78 34.51 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 m -86.29 133.62 33.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.22 140.91 52.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.62 60.57 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.2 tp -73.17 -51.79 16.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.736 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.1 m-85 -108.4 37.51 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -124.5 -42.18 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 HG12 ' H ' ' A' ' 53' ' ' GLY . 56.2 t -63.97 123.52 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' VAL . 6.8 t -35.94 -43.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 83.6 110.35 0.55 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -43.01 97.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' THR . 15.1 tptp -45.42 -43.83 11.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 55' ' ' LYS . 82.3 m -33.98 -57.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.07 -52.97 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.768 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.7 mt-30 -48.29 -35.4 12.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -60.11 -41.96 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.3 p30 -79.99 -43.27 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.7 mt -40.86 -41.05 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -85.41 -50.58 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -51.96 -61.19 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.03 -46.16 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.27 -43.0 74.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.95 -61.61 2.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -56.64 -39.05 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -132.48 120.8 22.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -94.81 18.28 12.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -124.18 17.72 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 pt -63.36 160.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -127.25 101.3 6.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.0 mt -52.97 -37.38 61.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -54.15 -42.52 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 t -83.39 -23.9 32.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.409 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 31.5 mmm -63.17 -17.56 62.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 61.65 29.27 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.37 -176.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -127.89 141.74 51.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.7 m -45.2 -44.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.152 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' N ' HG23 ' A' ' 80' ' ' VAL . 19.4 m120 -53.8 -33.58 56.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.09 -60.1 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -51.16 -35.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.736 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.58 -42.56 78.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.17 -39.75 88.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.444 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.37 79.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.87 -57.81 5.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -53.29 -34.06 55.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -69.5 -51.98 30.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.3 t80 -37.71 -47.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -56.81 -40.18 75.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.87 -39.69 95.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 6.2 m-20 -59.11 -46.15 89.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' ASP . 87.3 mt -35.56 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.87 29.33 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -136.95 151.83 72.9 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.73 135.41 30.46 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.65 2.233 . . . . 0.0 112.345 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 15.6 tp -35.6 -41.49 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 18.7 mt -96.98 122.78 55.55 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.165 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 150.53 68.69 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.633 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 97.0 m-85 -72.43 -21.83 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.3 m -66.18 -9.75 34.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 104' ' ' HIS . 24.7 mt -124.03 -14.56 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CE1' ' CD1' ' A' ' 101' ' ' TYR . 2.6 m170 -34.72 -59.94 0.56 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.589 0.709 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -50.52 -36.47 34.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.6 mt -72.88 -41.79 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.633 HD21 ' CD2' ' A' ' 187' ' ' HIS . 71.7 mt -60.98 -45.68 93.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -61.6 -31.58 71.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 119' ' ' ARG . . . -86.74 -22.2 26.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.03 -28.92 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -80.87 11.86 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -74.92 130.89 80.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 0.0 111.104 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -45.53 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' LYS . 35.9 m-20 -69.46 101.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' ASP . 50.0 tptt -35.03 -60.72 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 29.0 m -51.31 -53.14 38.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.482 ' HB2' HG21 ' A' ' 113' ' ' ILE . 73.9 mm-40 -52.7 -51.74 59.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.8 ttm180 -51.69 -38.54 55.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.432 ' CD1' HG12 ' A' ' 207' ' ' ILE . 96.7 mt -70.91 -62.97 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -48.35 -42.72 32.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.47 -53.09 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 30.2 mt -55.65 -42.95 75.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -57.97 -20.36 37.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -82.62 -22.32 34.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.2 mt -98.61 -34.02 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.521 HG22 ' HE1' ' A' ' 135' ' ' TYR . 2.2 p -55.72 -20.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -80.84 -35.17 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 49.4 mttm -65.46 -22.13 66.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.9 m-85 -49.85 137.3 16.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.4 t-80 -40.68 140.59 1.02 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.567 0.698 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.0 Cg_endo -69.79 2.67 3.34 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.68 2.253 . . . . 0.0 112.306 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.998 HG12 HD23 ' A' ' 17' ' ' LEU . 74.0 t -108.98 -43.56 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.506 HD22 HD12 ' A' ' 98' ' ' LEU . 16.4 m120 -84.27 -35.13 23.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.521 ' HE1' HG22 ' A' ' 127' ' ' VAL . 82.1 t80 -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.583 ' O ' HD11 ' A' ' 27' ' ' ILE . 2.8 m-20 -59.14 -41.09 87.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 46.2 t -72.73 -53.84 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.543 ' CE1' HD11 ' A' ' 142' ' ' ILE . 74.8 t80 -47.42 -52.8 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -53.89 -33.13 55.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -79.03 -39.07 34.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -55.92 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.591 HG22 ' SG ' ' A' ' 198' ' ' CYS . 33.6 mm -48.68 -34.27 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 61.4 m -64.65 -41.18 96.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.465 ' CG ' HG13 ' A' ' 35' ' ' VAL . 80.1 t60 -64.92 -50.05 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.674 HD21 ' CE1' ' A' ' 166' ' ' PHE . 78.4 mt -53.61 -51.8 61.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 24.7 t-20 -52.31 -49.44 64.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -51.09 -28.96 11.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.9 t -75.78 -51.07 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -49.81 -28.76 6.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -53.92 -48.25 70.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.549 ' HG3' HD12 ' A' ' 154' ' ' ILE . 2.3 mp0 -101.91 33.97 2.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.458 ' HB2' HG23 ' A' ' 158' ' ' THR . 5.3 p80 -55.25 -24.5 28.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -72.53 -23.08 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.549 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -102.12 -59.28 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -69.2 -11.17 60.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.5 mt 59.53 51.26 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 78.9 mmm -154.55 117.25 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.458 HG23 ' HB2' ' A' ' 152' ' ' HIS . 11.0 p -105.22 157.86 17.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -37.1 -46.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -63.57 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -41.28 -50.99 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.538 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.4 mt -63.04 -59.59 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.0 p -45.89 -32.05 2.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 31.9 mt -72.19 -33.91 48.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 162' ' ' LEU . 2.1 m -91.98 7.89 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.674 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -120.75 -26.36 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.02 -38.47 29.27 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.557 0.694 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.6 Cg_exo -48.01 -30.8 14.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 171' ' ' MET . 8.0 m -107.06 -65.94 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.6 mt -33.85 -36.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 169' ' ' THR . 9.1 mtp -126.02 104.77 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 23.2 mmt180 -114.51 99.87 52.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.476 ' HB2' ' CE2' ' A' ' 175' ' ' PHE . 52.9 Cg_endo -69.81 134.71 28.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -129.74 90.5 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 173' ' ' PRO . 8.4 m-85 -107.06 -54.95 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 42.55 38.8 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -126.46 147.01 49.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 79.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.5 130.04 14.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -120.11 178.22 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 55.2 mt 56.31 47.67 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 184' ' ' THR . 45.2 m -128.9 -34.35 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 182' ' ' SER . 66.6 p -37.76 142.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 182' ' ' SER . 43.3 p -135.87 130.88 34.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.43 45.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.6 HG22 HG23 ' A' ' 190' ' ' VAL . 15.4 mt -113.23 -34.19 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.633 ' CD2' HD21 ' A' ' 108' ' ' LEU . 22.5 m170 -41.74 -39.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -69.62 -45.2 69.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 190' ' ' VAL . 70.3 m -62.91 -52.53 62.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.6 HG23 HG22 ' A' ' 186' ' ' ILE . 58.5 t -36.52 -58.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.432 HG12 HD11 ' A' ' 195' ' ' ILE . 60.2 t -59.34 -56.87 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.91 -63.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 49.9 m -45.56 -54.62 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 6.2 m-85 -48.43 -31.05 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.49 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 20.9 mt -82.77 -58.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -49.91 -49.13 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -95.42 12.38 29.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.591 ' SG ' HG22 ' A' ' 142' ' ' ILE . 51.1 t -38.06 -38.6 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 75.2 mm-40 -65.35 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 3.8 t80 -49.73 -18.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.0 m-85 -79.81 -44.25 20.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -120.99 -54.94 2.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 199' ' ' GLN . 81.9 m-85 -73.88 2.66 8.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 9.3 t-20 50.58 28.16 3.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.69 -149.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -112.1 144.99 40.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.432 HG12 ' CD1' ' A' ' 120' ' ' LEU . 37.6 mt -63.86 116.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 11.3 m -92.78 173.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t 62.44 43.02 8.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -132.18 143.76 50.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.63 58.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -87.08 86.79 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 7' ' ' GLY . 2.7 m -156.7 134.03 10.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.1 -44.86 0.56 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.437 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.468 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.78 -178.07 3.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.686 0.279 . . . . 0.0 110.92 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -92.7 136.19 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.4 p -140.92 163.8 31.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -97.92 -40.04 8.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -105.02 -52.68 2.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -45.26 145.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.25 -40.32 2.98 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.3 mtt -59.33 156.85 27.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 150.94 68.48 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 133' ' ' VAL . 8.6 tp -46.15 -59.39 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -39.11 -34.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.13 -37.67 33.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' LEU . 37.5 mt -68.86 -49.7 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 14.9 m -72.94 172.78 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -146.13 150.02 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.33 -38.01 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -70.41 -43.98 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 33.4 mmtp -128.22 106.94 19.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.83 -36.13 11.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.33 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.596 HD11 ' O ' ' A' ' 136' ' ' ASP . 30.5 mm -83.12 135.27 44.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.656 0.741 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.6 Cg_endo -69.77 147.28 62.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.744 2.296 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 32' ' ' GLU . 41.3 tp -60.43 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 16.4 t80 -30.77 -63.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.594 ' O ' HG23 ' A' ' 35' ' ' VAL . 39.9 t -51.06 -43.73 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' LEU . 22.7 mt-10 -66.67 -62.33 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -47.87 -43.71 28.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.29 -60.61 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 31' ' ' VAL . 74.8 t -54.32 -62.94 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -46.81 -46.14 20.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CD2' HG21 ' A' ' 83' ' ' VAL . 58.2 t80 -60.25 -47.18 87.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 35' ' ' VAL . 42.0 mt -55.04 -61.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.85 -35.14 75.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -60.11 -55.43 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.9 p -63.38 -38.29 90.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.22 113.26 0.34 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.68 11.15 20.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 23.2 p -115.09 40.33 2.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 80' ' ' VAL . 60.7 m -95.68 136.0 36.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.11 142.08 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.62 61.07 1.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.522 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -73.64 -53.32 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 33.5 m-85 -105.9 36.71 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.0 ptt180 -125.33 -39.58 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.9 t -74.43 140.07 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 t -56.52 -47.07 80.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.49 124.29 1.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -39.04 102.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' THR . 4.6 tptm -46.58 -46.19 19.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' LYS . 44.5 m -36.88 -48.27 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -62.49 -53.19 58.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -55.04 -36.43 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -56.82 -43.53 81.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -80.26 -49.95 10.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 53.9 mt -37.21 -38.75 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -88.27 -53.65 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -48.58 -57.51 6.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -58.42 -41.12 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -57.67 -41.48 81.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -61.81 -62.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -57.63 -38.22 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -130.35 115.86 17.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -91.44 14.63 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.11 30.31 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.6 pt -72.33 161.69 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -126.74 101.01 6.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -51.29 -42.43 61.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.48 -38.61 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.0 t -81.86 -28.37 33.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.3 mtp -70.32 -8.2 48.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.51 43.08 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.6 m -83.32 173.69 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.532 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.31 145.55 40.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.5 m -47.85 -44.08 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -47.95 -49.34 30.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.532 ' H ' HG23 ' A' ' 79' ' ' THR . . . -65.44 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.068 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 37' ' ' PHE . 59.8 t -43.94 -37.3 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.39 -44.59 71.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.63 -42.84 93.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.33 86.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.21 -59.34 4.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -53.77 -37.9 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.94 -49.33 68.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 3.4 t80 -40.1 -50.48 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -50.96 -40.24 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.92 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.97 -45.81 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.466 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 71.7 mt -38.57 152.22 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.596 0.713 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.56 28.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -136.93 150.57 70.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 53.9 Cg_endo -69.72 134.01 27.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.689 2.26 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.71 HD12 HD22 ' A' ' 134' ' ' ASN . 33.8 tp -34.45 -34.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.716 HD12 ' HG3' ' A' ' 171' ' ' MET . 57.2 mt -101.61 121.29 51.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 143.61 51.34 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.391 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.544 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.7 m-85 -65.01 -20.67 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -65.35 -12.9 56.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.6 HD22 HG23 ' A' ' 126' ' ' ILE . 21.4 mt -122.74 -15.45 7.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.544 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.3 m170 -34.27 -59.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.74 -44.22 2.22 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -49.91 -38.84 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.7 mt -69.35 -42.88 74.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 186' ' ' ILE . 36.6 mt -61.91 -50.6 71.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.51 -32.37 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.84 -23.34 27.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.061 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.524 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -81.77 -25.74 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.061 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.4 16.67 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.6 mt -77.79 131.43 70.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.67 0.748 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -44.22 2.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 1.4 m-20 -73.64 103.65 4.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 27.8 tptt -34.03 -59.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.437 HG22 ' CD2' ' A' ' 121' ' ' HIS . 15.2 m -49.79 -63.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.6 mm-40 -43.85 -46.87 8.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.625 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.8 ttm180 -55.39 -42.23 73.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.4 mt -72.06 -61.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.437 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.9 m-70 -47.59 -40.36 19.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.32 58.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.96 -32.38 63.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.4 mtpt -67.45 -25.15 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -80.43 -19.35 46.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.6 HG23 HD22 ' A' ' 103' ' ' LEU . 19.6 mt -100.74 -34.63 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -57.95 -26.18 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -74.09 -35.15 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -63.53 -19.42 64.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 12.8 m-85 -50.6 138.26 18.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.536 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -44.02 140.93 2.57 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.638 0.733 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.536 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.69 3.02 2.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.564 HG12 HD23 ' A' ' 17' ' ' LEU . 94.0 t -111.4 -40.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.71 HD22 HD12 ' A' ' 98' ' ' LEU . 6.4 m120 -87.45 -33.42 19.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.52 -49.06 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.596 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.3 m-20 -48.62 -38.77 21.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 141' ' ' VAL . 41.7 t -74.29 -50.02 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.426 ' CE2' HG13 ' A' ' 142' ' ' ILE . 67.3 t80 -49.95 -48.35 52.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -58.13 -35.83 72.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -75.97 -38.7 57.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.977 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 137' ' ' VAL . 76.5 t -64.58 -62.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.484 HG22 ' SG ' ' A' ' 198' ' ' CYS . 38.7 mm -42.39 -37.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.0 m -63.76 -42.72 97.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.438 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -61.83 -54.99 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.733 HD21 ' CE1' ' A' ' 166' ' ' PHE . 88.1 mt -48.92 -50.69 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -55.51 -49.35 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -52.45 -29.57 25.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.529 HG22 HD11 ' A' ' 43' ' ' LEU . 61.4 t -75.22 -51.84 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.1 p -49.45 -31.52 10.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.89 -41.92 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -106.22 33.68 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -56.35 -29.96 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.3 -18.6 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 30.2 mt -107.53 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.069 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -68.78 -13.54 62.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 mt 61.63 51.1 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.9 mtp -156.36 119.37 4.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 34.3 p -101.72 165.56 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -43.86 -34.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.21 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' ' 164' ' ' ILE . 96.5 m-20 -41.63 -43.32 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.48 -51.39 43.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 4.4 t -52.03 -34.95 45.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 161' ' ' ASN . 41.3 mt -67.91 -22.14 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 9.34 36.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.733 ' CE1' HD21 ' A' ' 145' ' ' LEU . 9.7 m-85 -123.9 -28.75 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.36 -38.26 25.69 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.93 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.2 Cg_exo -47.95 -37.35 29.25 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 170' ' ' LEU . 38.7 m -99.23 -66.96 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.167 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 169' ' ' THR . 77.4 mt -31.74 -40.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.716 ' HG3' HD12 ' A' ' 99' ' ' ILE . 27.4 mtp -123.9 83.24 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -68.25 118.3 57.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 97.68 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -120.96 60.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -126.18 -36.08 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 54.86 50.5 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 179' ' ' GLU . 14.6 p-10 -56.79 122.16 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.18 40.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 177' ' ' ASN . 42.6 mt-10 -152.27 144.0 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 183' ' ' THR . 51.9 t80 -91.51 -27.38 18.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 95.4 mt -81.29 -37.46 28.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 95.9 p -54.45 -23.03 14.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.814 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 180' ' ' PHE . 9.9 t -42.6 134.52 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.471 ' HB ' HD12 ' A' ' 186' ' ' ILE . 75.0 p -96.07 -49.66 5.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.5 tptt 62.57 43.07 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.523 HG22 HG23 ' A' ' 190' ' ' VAL . 28.7 mt -117.55 -40.68 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.172 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.541 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 13.4 m-70 -35.81 -46.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.455 ' NE2' HG12 ' A' ' 164' ' ' ILE . 32.2 tt0 -57.59 -54.88 41.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 190' ' ' VAL . 37.6 t -56.89 -48.66 77.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 111' ' ' ALA . 60.5 t -35.54 -67.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 192' ' ' GLU . 74.1 t -47.15 -60.2 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.61 -60.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.9 m -49.72 -57.94 6.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -43.55 -34.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 36.3 mt -77.34 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 18.5 mt-30 -47.57 -52.33 18.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.519 ' HG2' HD21 ' A' ' 120' ' ' LEU . 21.3 mp0 -90.73 12.16 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.484 ' SG ' HG22 ' A' ' 142' ' ' ILE . 25.4 t -38.69 -37.04 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 203' ' ' TYR . 80.2 mm-40 -69.17 -64.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.8 OUTLIER -51.12 -17.36 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.432 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.6 m-85 -82.06 -42.95 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -122.73 -51.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.2 m-85 -79.56 11.69 2.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.9 t-20 43.92 27.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.76 -151.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -112.35 145.54 39.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.934 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 120' ' ' LEU . 55.9 mt -67.62 112.5 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.429 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 26.0 m -88.56 174.47 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -55.62 -47.88 75.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -65.54 -43.64 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.74 120.01 2.56 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -94.73 40.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -113.8 155.64 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.95 -53.88 7.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.487 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.79 170.76 10.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.731 0.3 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -82.37 133.89 35.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.2 t -143.7 -177.76 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.76 -30.98 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.511 ' CE2' HD22 ' A' ' 20' ' ' LEU . 85.8 t80 -105.69 -49.23 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.31 143.61 56.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.93 -46.47 1.6 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.6 mtm -48.31 159.6 0.5 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.53 0.681 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 149.99 67.45 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.8 tp -45.65 -64.79 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.594 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.3 pt20 -36.51 -38.08 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.08 -40.93 44.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD22 ' CE2' ' A' ' 12' ' ' TYR . 58.9 mt -64.53 -46.35 83.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 HG21 HG13 ' A' ' 133' ' ' VAL . 17.4 m -74.62 163.14 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.5 156.82 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -36.21 47.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -68.14 -42.15 80.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -137.96 108.65 8.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.94 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.523 HD11 ' O ' ' A' ' 136' ' ' ASP . 34.0 mm -89.72 131.61 39.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 111.137 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.07 18.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.388 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 30' ' ' PHE . 4.6 tt -46.41 -59.7 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.0 t80 -33.77 -62.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.3 t -51.78 -42.23 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -63.02 -61.86 2.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -47.67 -46.9 29.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 77.0 m -64.68 -61.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 31' ' ' VAL . 83.8 t -53.42 -69.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.72 -51.31 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD12 ' A' ' 73' ' ' LEU . 80.8 t80 -57.78 -43.7 85.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' VAL . 19.9 mt -58.52 -57.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.6 pt-20 -63.47 -33.04 74.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.2 -40.62 90.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' PHE . 60.4 p -81.51 38.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.06 108.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.2 tp -84.14 7.73 17.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.2 m -105.96 37.21 2.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.3 m -90.42 130.58 36.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.68 140.78 58.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 41.29 56.79 3.29 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 15.8 tp -70.78 -52.25 21.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' OH ' HD13 ' A' ' 38' ' ' ILE . 41.3 m-85 -104.75 36.64 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -125.89 -40.3 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.62 141.59 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.9 t -69.1 134.73 49.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -90.35 107.53 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' LYS . 28.6 t-20 -36.48 100.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' ASN . 2.8 tptm -35.46 -40.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 92.1 m -39.61 -59.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -59.75 -54.49 45.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 33.9 mt-30 -47.47 -35.71 9.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -57.68 -43.13 84.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -79.81 -46.65 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 73.5 mt -42.29 -40.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -86.66 -51.88 5.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -51.86 -59.67 4.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -52.99 -46.41 68.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -54.94 -43.14 73.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -54.37 -38.14 65.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -135.25 124.33 24.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -96.95 21.93 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.47 24.35 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.93 156.16 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -129.02 101.1 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.539 HD12 ' CB ' ' A' ' 37' ' ' PHE . 60.9 mt -48.95 -45.7 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.7 t -46.34 -37.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -85.04 -32.74 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.496 ' SD ' HD23 ' A' ' 73' ' ' LEU . 53.3 mtp -64.72 -6.2 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 46.42 43.53 12.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.897 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.3 m -82.49 169.16 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.97 141.43 41.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 81' ' ' ASN . 32.7 m -46.74 -48.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.552 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.4 m120 -44.39 -40.58 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.64 -65.42 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 37' ' ' PHE . 67.5 t -42.22 -39.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.73 -45.4 78.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.5 99.83 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -63.44 -40.36 96.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 31' ' ' VAL . 23.0 tp -63.84 -54.21 38.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -58.32 -41.02 83.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -63.9 -45.69 88.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -41.4 -45.74 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' HA ' HD12 ' A' ' 94' ' ' LEU . 68.3 m-85 -60.57 -37.34 80.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.59 -42.0 92.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -57.3 -44.3 83.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 91' ' ' PHE . 21.6 mt -40.99 152.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.59 0.71 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -14.71 36.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -149.58 149.14 27.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.615 0.721 . . . . 0.0 110.849 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 137.46 35.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.847 HD12 HD22 ' A' ' 134' ' ' ASN . 33.4 tp -33.72 -45.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 130' ' ' PHE . 38.4 mt -93.12 121.18 66.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.675 0.75 . . . . 0.0 111.119 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 86.4 m-85 -63.52 -27.16 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.7 t -59.14 -15.68 15.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 126' ' ' ILE . 43.5 mt -119.82 -15.8 8.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.518 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -37.87 -59.01 1.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.825 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.2 Cg_endo -69.75 -41.67 4.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -52.7 -36.17 56.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.84 -48.54 63.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.652 HD21 ' CD2' ' A' ' 187' ' ' HIS . 28.6 mt -54.95 -42.69 72.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -61.04 -41.48 96.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.39 -23.47 43.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.488 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -84.15 -28.01 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -79.42 11.84 2.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.587 HG21 ' HB2' ' A' ' 118' ' ' GLU . 50.8 mt -77.92 131.16 70.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 111.13 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -39.22 6.75 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.366 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 3.8 m-20 -68.44 128.89 38.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -60.48 -44.48 95.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.8 m -66.64 -66.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.587 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mt-10 -41.68 -59.7 1.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -40.35 -40.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.419 HD21 ' HG3' ' A' ' 197' ' ' GLN . 92.9 mt -74.19 -65.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -42.56 -52.94 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.42 -52.43 13.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.8 mt -56.33 -40.73 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -60.27 -18.63 50.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -85.49 -19.68 30.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.529 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -101.0 -33.73 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.568 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 10.0 p -56.89 -26.53 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -73.95 -38.24 64.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -58.89 -26.96 64.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 24.8 m-85 -47.17 124.35 6.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -34.88 140.9 0.28 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.618 0.723 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.2 Cg_endo -69.7 3.16 2.9 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.264 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.594 HG11 ' CA ' ' A' ' 18' ' ' GLN . 91.4 t -106.9 -32.1 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.847 HD22 HD12 ' A' ' 98' ' ' LEU . 4.9 m120 -95.97 -40.46 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -48.58 -45.1 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.523 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.44 -42.13 61.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 39.3 t -72.65 -52.94 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.766 ' CE1' HD11 ' A' ' 142' ' ' ILE . 93.2 t80 -46.83 -50.9 17.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 32.1 ttt-85 -52.79 -40.01 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -73.82 -41.91 61.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 88.4 t -61.47 -61.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.766 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.8 mm -43.77 -41.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 50.8 m -59.55 -41.12 89.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.461 ' CG ' HG13 ' A' ' 35' ' ' VAL . 83.5 t60 -61.88 -58.59 7.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 162' ' ' LEU . 84.3 mt -46.68 -46.98 20.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.14 -47.42 83.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -51.0 -32.61 21.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.83 -54.58 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 18.5 p -47.7 -30.34 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -54.95 -40.75 70.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -107.64 30.35 6.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.591 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.1 p80 -55.76 -20.42 14.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.591 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 3.6 mptt -68.22 -19.31 64.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.28 -53.64 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -71.86 -17.17 62.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.8 mt 61.32 54.74 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.3 mtp -157.28 110.99 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.405 HG22 ' CG ' ' A' ' 152' ' ' HIS . 75.6 p -95.76 164.66 12.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.418 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -45.42 -36.5 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.1 -53.26 32.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -52.05 -56.6 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.584 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.0 mt -57.52 -44.5 85.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.9 t -58.97 -41.53 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.653 HG23 HE21 ' A' ' 188' ' ' GLN . 58.1 mt -67.91 -22.46 28.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.26 4.18 46.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.471 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.0 m-85 -122.94 -22.09 5.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -65.14 -37.92 24.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -47.97 -25.93 6.9 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 59.5 m -111.56 -61.36 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 62.6 mt -41.73 -42.4 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 172' ' ' ARG . 15.1 mtp -121.77 35.08 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 171' ' ' MET . 2.9 ptp180 -32.81 139.05 0.23 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.595 0.712 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -172.97 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.382 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -139.43 120.69 14.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.72 -46.23 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -56.1 -16.71 5.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 178' ' ' ARG . 4.1 m120 -100.24 162.07 13.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 179' ' ' GLU . 34.0 mmt-85 -35.93 101.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 178' ' ' ARG . 2.2 pp20? -34.63 98.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -165.22 168.27 17.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 8.0 mt 62.44 43.34 8.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 80.1 p -115.71 -41.69 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.533 ' O ' HG23 ' A' ' 183' ' ' THR . 10.0 t -97.0 62.43 1.84 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 81.3 p -112.28 -39.52 4.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt 59.96 43.01 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.46 ' HB ' HD22 ' A' ' 108' ' ' LEU . 68.4 mt -129.56 -36.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.652 ' CD2' HD21 ' A' ' 108' ' ' LEU . 14.4 m-70 -40.96 -40.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.653 HE21 HG23 ' A' ' 164' ' ' ILE . 12.8 mt-30 -67.39 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 24.7 m -50.35 -51.23 47.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.488 HG22 ' CB ' ' A' ' 111' ' ' ALA . 53.6 t -39.9 -66.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.19 -62.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.486 ' HA ' HD12 ' A' ' 195' ' ' ILE . 1.6 tm-20 -38.62 -58.29 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.0 m -45.95 -55.45 6.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.509 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -47.34 -36.4 9.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 192' ' ' GLU . 21.1 mt -75.2 -58.56 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.7 mm100 -49.39 -43.93 44.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.419 ' HG3' HD21 ' A' ' 120' ' ' LEU . 44.8 mm-40 -101.94 19.42 18.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.7 t -42.26 -33.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 203' ' ' TYR . 56.0 mm-40 -71.28 -71.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.3 t80 -44.97 -22.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.509 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 7.8 m-85 -77.09 -51.24 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -110.66 -51.98 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 199' ' ' GLN . 55.8 m-85 -80.06 12.11 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 40.85 28.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.41 ' N ' ' HA ' ' A' ' 200' ' ' PHE . . . -59.26 -154.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -105.92 143.93 33.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.66 112.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 19.3 m -85.72 172.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -98.73 -60.06 1.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -87.51 142.27 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.97 71.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -66.41 -49.93 65.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -99.74 113.32 25.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.64 -41.23 3.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -93.96 179.57 5.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.749 0.309 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -88.06 133.53 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -139.8 166.5 24.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -107.16 -29.5 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' PHE . 84.1 m-85 -115.46 -53.68 2.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' TYR . 14.1 m-85 -37.39 124.92 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 112.17 -39.49 2.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.6 ptp -66.65 153.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.529 0.681 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 156.53 63.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.637 2.225 . . . . 0.0 112.336 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.9 tp -47.14 -57.17 5.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -39.58 -35.03 0.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -80.88 -35.62 32.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' LEU . 56.2 mt -70.25 -50.69 37.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 17.4 m -72.2 163.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -139.0 153.27 48.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.5 -35.75 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.96 -41.5 82.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -141.25 108.41 6.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.462 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.73 -22.11 32.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 50.4 mm -88.32 131.46 42.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.709 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.7 Cg_endo -69.81 132.49 23.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.305 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.0 tt -47.4 -61.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 26.4 t80 -34.69 -63.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 61.9 t -47.4 -38.71 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -70.19 -58.16 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -50.58 -43.62 56.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -70.29 -61.83 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.686 ' HA ' HD12 ' A' ' 38' ' ' ILE . 76.5 t -52.73 -63.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -44.23 -54.28 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CD2' HG21 ' A' ' 83' ' ' VAL . 66.4 t80 -54.08 -42.2 69.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.77 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.4 mt -59.7 -60.31 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.684 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.1 pt-20 -62.47 -27.51 69.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -72.92 -44.13 61.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 37' ' ' PHE . 74.5 p -80.97 43.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.33 109.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.2 tp -90.65 33.12 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -134.12 36.83 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.4 m -91.86 124.92 36.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.144 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -49.64 137.77 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.48 57.47 5.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 12.7 tp -70.5 -51.91 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.77 ' OH ' HD13 ' A' ' 38' ' ' ILE . 31.3 m-85 -107.31 40.55 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 11.0 ptt180 -128.96 -40.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.1 t -69.06 121.0 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 m -48.95 -48.94 42.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.31 -164.67 25.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' LYS . 58.4 t-20 -117.98 96.42 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.936 0.398 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.6 tptt -34.18 -42.66 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LYS . 90.3 m -36.71 -57.4 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.58 -55.73 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -46.9 -36.62 7.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.33 -42.29 77.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -80.78 -41.25 23.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.457 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 82.4 mt -48.1 -41.69 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -87.09 -45.64 10.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.59 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 16.8 mtpt -57.29 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -51.82 -44.77 63.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -52.83 -40.08 63.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -65.79 -64.59 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -51.81 -38.35 55.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -134.37 121.79 21.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -95.35 22.23 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.56 24.68 6.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.62 155.08 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.3 t30 -128.37 97.85 4.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 37' ' ' PHE . 59.0 mt -44.81 -44.12 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 57.6 t -47.64 -39.69 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.07 -34.01 26.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.438 ' SD ' HD23 ' A' ' 73' ' ' LEU . 48.6 mtp -61.48 -10.57 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 51.66 43.57 29.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.5 m -83.6 176.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -110.96 142.67 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 23.2 m -49.09 -42.25 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.2 m120 -56.56 -42.82 79.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.33 -55.12 27.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.4 t -54.35 -42.61 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.703 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -62.05 -46.86 87.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.53 -41.58 99.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.461 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -64.64 -42.23 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.0 tp -60.57 -61.19 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -51.96 -35.23 45.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.76 -50.87 61.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.071 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.504 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.9 t80 -38.28 -52.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -50.54 -39.85 50.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -60.33 -43.41 96.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' LEU . 1.4 t70 -54.96 -48.78 72.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 74.1 mt -35.45 152.08 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.557 0.694 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -145.31 148.33 37.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.1 Cg_endo -69.73 138.13 37.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 134' ' ' ASN . 28.1 tp -34.16 -45.74 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.535 HD12 ' HG3' ' A' ' 171' ' ' MET . 46.2 mt -92.6 121.22 66.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD2' ' CE2' ' A' ' 130' ' ' PHE . 53.7 Cg_endo -69.79 140.72 43.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 77.0 m-85 -62.09 -22.59 65.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.8 t -62.92 -15.87 57.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.747 HD22 HG23 ' A' ' 126' ' ' ILE . 44.0 mt -121.32 -16.19 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.93 -59.73 0.6 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.583 0.706 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.67 -42.5 3.44 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -52.42 -37.93 57.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.2 mt -70.5 -41.75 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 186' ' ' ILE . 66.5 mt -60.17 -47.25 86.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -59.92 -39.65 86.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.86 -20.25 46.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -84.79 -26.78 27.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -83.42 14.77 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 119' ' ' ARG . 49.3 mt -77.13 129.93 76.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.659 0.743 . . . . 0.0 111.096 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -37.8 8.71 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 116' ' ' LYS . 5.2 m-20 -72.2 98.32 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 115' ' ' ASP . 37.8 tptt -33.12 -64.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.8 m -51.17 -57.99 7.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -46.89 -58.37 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.481 ' HA ' HD12 ' A' ' 113' ' ' ILE . 7.9 ttm180 -44.3 -37.42 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.456 ' CD1' HG12 ' A' ' 207' ' ' ILE . 93.7 mt -73.39 -64.52 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -44.82 -43.18 8.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.92 -52.56 64.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.5 mt -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -58.38 -18.41 27.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -85.22 -22.45 28.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.747 HG23 HD22 ' A' ' 103' ' ' LEU . 18.4 mt -98.76 -32.34 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.558 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.1 p -57.04 -25.46 22.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -75.89 -37.78 58.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -61.28 -18.85 60.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.954 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.558 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.8 m-85 -52.91 140.68 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 9.2 t-80 -46.68 140.51 5.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.74 3.92 2.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 62.9 t -109.02 -39.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.613 HD22 HD12 ' A' ' 98' ' ' LEU . 10.3 m120 -88.63 -36.64 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -50.62 -47.23 58.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -50.99 -46.09 61.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.457 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 55.8 t -68.89 -54.29 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.607 ' CE1' HD11 ' A' ' 142' ' ' ILE . 86.7 t80 -45.35 -50.6 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.547 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 51.0 ttt180 -54.13 -38.27 65.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -74.21 -43.62 56.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 89.2 t -59.82 -58.12 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.607 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.5 mm -45.35 -40.6 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 29.3 m -60.25 -38.23 82.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 35' ' ' VAL . 77.4 t60 -64.41 -59.42 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CE1' ' A' ' 166' ' ' PHE . 89.8 mt -45.45 -44.61 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -59.3 -49.57 77.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.8 mtp85 -50.69 -34.53 27.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.51 -57.49 7.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.7 p -43.35 -31.44 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -48.43 -45.23 36.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -106.56 37.77 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.494 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.6 p80 -56.4 -25.39 49.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 55.0 mmtt -69.03 -24.22 64.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 14.1 mt -104.82 -58.66 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -68.24 -6.36 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mt 50.41 52.89 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 92.1 mmm -154.96 106.25 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.494 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.6 p -94.1 154.49 17.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.16 -41.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -68.69 -56.07 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.528 ' HA ' HD12 ' A' ' 164' ' ' ILE . 63.7 m-20 -46.77 -48.91 20.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 145' ' ' LEU . 9.7 mt -63.51 -48.47 77.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 6.4 t -58.11 -28.93 65.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 161' ' ' ASN . 62.5 mt -71.73 -16.82 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.59 7.13 20.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -120.77 -30.35 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.43 -38.51 33.59 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.535 0.684 . . . . 0.0 110.88 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.5 Cg_exo -48.02 -28.94 11.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 170' ' ' LEU . 23.9 m -106.26 -67.69 0.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 169' ' ' THR . 57.1 mt -31.63 -40.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.535 ' HG3' HD12 ' A' ' 99' ' ' ILE . 67.8 mtp -125.9 103.84 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -127.47 103.84 22.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.737 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.637 ' CG ' ' CZ ' ' A' ' 175' ' ' PHE . 53.5 Cg_endo -69.84 3.39 2.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 62.05 54.96 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.637 ' CZ ' ' CG ' ' A' ' 173' ' ' PRO . 23.6 m-85 -51.47 -39.03 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 175' ' ' PHE . 20.1 mm-40 -34.01 -37.0 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 16.0 t30 -82.2 141.62 32.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 49.5 mtt85 -42.98 97.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -151.72 130.48 12.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -151.38 151.94 32.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 11.0 mt 72.4 30.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 17.2 t -127.41 -28.66 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 3.4 t -57.07 147.54 24.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 70.7 p -139.42 144.05 37.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -85.9 39.55 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.536 HG22 HG23 ' A' ' 190' ' ' VAL . 17.6 mt -111.54 -41.58 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 96.1 m-70 -33.77 -55.06 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.42 -52.16 17.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.2 m -63.84 -49.62 72.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.536 HG23 HG22 ' A' ' 186' ' ' ILE . 62.0 t -36.73 -66.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 85.0 t -57.45 -54.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -41.2 -66.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -42.44 -57.57 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.468 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.3 m-85 -42.3 -33.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.532 HD11 HD13 ' A' ' 145' ' ' LEU . 33.8 mt -78.89 -60.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.8 mm-40 -47.91 -51.7 22.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.405 ' CD ' ' N ' ' A' ' 197' ' ' GLN . 18.6 mp0 -91.73 13.86 16.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 197' ' ' GLN . 13.2 t -37.27 -41.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.511 ' O ' ' N ' ' A' ' 203' ' ' TYR . 8.0 mm-40 -65.44 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.1 t80 -50.03 -17.91 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.4 m-85 -82.57 -42.53 18.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . 0.547 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 11.7 m-85 -121.97 -51.21 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' A' ' 199' ' ' GLN . 39.1 m-85 -81.02 15.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.6 t-20 41.09 27.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -58.48 -152.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -113.08 144.33 42.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.456 HG12 ' CD1' ' A' ' 120' ' ' LEU . 32.4 mt -62.76 116.58 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.97 173.4 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -130.88 -35.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 t -64.34 -58.2 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 126.47 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -54.32 -60.22 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.823 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.0 p -72.93 139.17 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.26 -39.35 81.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.07 167.08 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -83.09 124.44 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 p -130.69 167.96 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -103.47 -38.08 7.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -105.02 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -39.84 157.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.61 -46.93 2.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 70.8 mmm -53.84 154.79 6.74 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.565 0.698 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.33 62.5 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.703 2.268 . . . . 0.0 112.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.966 HD22 ' ND2' ' A' ' 134' ' ' ASN . 7.6 tp -40.76 -60.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' CA ' HG11 ' A' ' 133' ' ' VAL . 4.2 pt20 -37.39 -39.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -78.22 -40.34 37.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' LEU . 79.7 mt -61.7 -50.79 71.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m -73.07 172.11 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -144.06 160.25 41.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -36.44 63.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -66.51 -39.03 88.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -142.18 110.9 5.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.55 0.69 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -23.05 31.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 28' ' ' PRO . 17.4 mm -91.84 134.05 29.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 111.164 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.73 127.59 14.83 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 32' ' ' GLU . 2.9 tt -42.21 -57.58 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' LEU . 10.7 t80 -37.34 -62.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.6 t -50.55 -36.11 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LEU . 31.0 mt-10 -71.72 -60.76 2.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -51.14 -43.95 61.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -66.43 -58.48 5.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' VAL . 73.5 t -59.98 -63.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -42.54 -46.39 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CB ' HD12 ' A' ' 73' ' ' LEU . 41.9 t80 -61.1 -50.07 74.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.508 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.8 mt -55.32 -60.61 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.1 -22.47 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -75.27 -32.1 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 p -91.72 41.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.55 112.88 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.477 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.3 tp -88.39 33.21 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 17.1 m -125.74 26.71 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -81.74 129.61 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.155 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -60.53 142.68 55.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.03 58.39 1.91 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.533 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.87 -55.26 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' HD13 ' A' ' 38' ' ' ILE . 40.0 m-85 -103.03 36.9 2.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.6 ptm180 -127.34 -40.89 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.5 t -79.37 99.96 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 m -40.24 123.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -80.67 121.29 5.39 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.44 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' LYS . 41.7 t-20 -35.99 99.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.844 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 54' ' ' ASN . 11.1 tptt -34.77 -39.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.9 m -37.09 -55.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 60' ' ' ASN . 77.3 m-20 -58.0 -55.52 33.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' NE2' ' HA3' ' A' ' 85' ' ' GLY . 30.9 mt-30 -38.97 -43.55 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 63' ' ' LYS . 9.5 t0 -52.67 -43.44 65.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.7 OUTLIER -79.75 -48.6 13.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HB1' ' A' ' 82' ' ' ALA . 83.3 mt -44.4 -43.03 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -82.53 -47.14 12.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HZ1' ' CG ' ' A' ' 59' ' ' ASP . 11.2 mttp -55.57 -64.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -48.04 -44.88 31.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -55.38 -42.5 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -66.78 -62.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.88 -38.41 55.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.12 122.42 20.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -93.64 18.88 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.92 26.25 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 pt -72.44 155.51 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -127.94 93.86 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.559 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.3 mt -42.28 -42.21 3.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.4 t -49.77 -40.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 t -81.66 -31.25 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' HD23 ' A' ' 73' ' ' LEU . 81.4 mtp -62.17 -16.1 50.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 59.69 31.99 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.9 m -75.82 169.11 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -112.46 139.3 48.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.117 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.8 m -38.43 -45.04 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.9 m120 -45.19 -54.44 6.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB1' HD11 ' A' ' 61' ' ' ILE . . . -61.65 -67.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' HA ' HD13 ' A' ' 61' ' ' ILE . 81.9 t -41.11 -35.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.33 69.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' NE2' ' A' ' 58' ' ' GLN . . . -71.07 -44.22 54.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.74 73.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.8 tp -68.51 -59.41 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -60.49 -36.89 79.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.01 69.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.447 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.7 t80 -57.03 -44.43 82.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -55.13 -40.92 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.95 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.0 -44.76 64.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.447 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 55.0 mt -38.47 152.17 0.17 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -21.71 33.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -141.59 150.8 58.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.563 0.697 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.8 55.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.71 2.273 . . . . 0.0 112.302 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.4 HD12 ' ND2' ' A' ' 134' ' ' ASN . 18.9 tp -44.83 -46.25 10.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.568 HD12 ' HG3' ' A' ' 171' ' ' MET . 49.5 mt -90.97 120.11 68.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 145.01 55.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.503 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 94.0 m-85 -65.53 -24.38 67.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -9.39 7.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' HIS . 28.7 mt -124.22 -17.47 6.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.506 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.12 -59.75 0.52 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.1 Cg_endo -69.8 -44.44 2.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.24 -35.88 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.0 mt -69.45 -49.72 52.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.473 HD21 ' CE1' ' A' ' 187' ' ' HIS . 26.7 mt -54.5 -43.61 71.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -61.62 -34.42 75.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.08 -21.57 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -86.68 -22.82 25.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -83.66 7.51 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.652 HG21 ' HB2' ' A' ' 118' ' ' GLU . 71.7 mt -74.52 131.21 80.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 111.153 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -47.37 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.35 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.486 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 1.0 OUTLIER -67.34 104.7 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -39.9 -46.57 2.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 m -57.79 -65.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.652 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.6 mt-10 -48.71 -48.03 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.465 ' HA ' HD12 ' A' ' 113' ' ' ILE . 4.6 ttm180 -53.65 -35.38 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' A' ' 197' ' ' GLN . 87.7 mt -78.33 -59.36 2.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -52.14 -34.95 46.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.83 -51.11 66.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.8 mt -55.63 -39.95 71.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -59.47 -24.07 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -80.91 -17.66 49.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 20.5 mt -101.9 -33.21 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.523 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.4 p -59.13 -24.3 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -76.44 -34.18 58.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.87 -13.74 57.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.9 m-85 -59.84 128.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.5 t-80 -34.28 140.74 0.26 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.56 0.695 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.7 Cg_endo -69.77 1.36 4.51 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.531 HG11 ' CA ' ' A' ' 18' ' ' GLN . 98.4 t -107.06 -39.11 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.966 ' ND2' HD22 ' A' ' 17' ' ' LEU . 4.8 m120 -87.2 -39.87 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -48.53 -45.12 36.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -50.51 -45.79 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.75 -54.12 20.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 142' ' ' ILE . 51.0 t80 -47.63 -47.33 29.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 45.7 ttt-85 -57.84 -33.54 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -78.38 -44.85 23.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 144' ' ' HIS . 83.4 t -57.85 -64.34 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.566 HG22 ' SG ' ' A' ' 198' ' ' CYS . 44.7 mm -38.5 -38.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.1 m -62.43 -43.59 98.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.9 t60 -61.0 -50.82 71.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 79.3 mt -54.63 -50.78 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -54.39 -48.87 71.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -50.78 -31.23 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 54.7 t -74.39 -54.3 15.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.4 p -46.89 -27.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -56.69 -46.62 81.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.4 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.0 OUTLIER -103.45 30.66 4.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.0 p80 -55.04 -15.86 2.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.2 OUTLIER -73.5 -25.74 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.0 mt -103.66 -54.64 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.9 p30 -70.08 -14.69 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.8 mt 58.89 52.25 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.9 mmm -154.17 110.58 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 4.6 p -96.78 160.58 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.201 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.24 -42.67 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.081 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.42 -57.17 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -48.14 -58.65 4.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.85 -50.04 64.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 34.2 t -54.11 -40.31 67.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.414 HG12 ' CD ' ' A' ' 188' ' ' GLN . 36.7 mt -64.85 -19.45 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -104.18 -8.63 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.0 m-85 -105.7 -24.19 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.86 -37.7 15.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.614 0.721 . . . . 0.0 110.943 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -34.17 22.31 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.657 2.238 . . . . 0.0 112.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 170' ' ' LEU . 51.7 m -102.75 -66.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 169' ' ' THR . 86.8 mt -33.26 -41.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.568 ' HG3' HD12 ' A' ' 99' ' ' ILE . 6.6 mtp -120.5 87.11 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -72.33 125.38 91.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.412 ' O ' ' CG ' ' A' ' 174' ' ' ASP . 53.9 Cg_endo -69.73 158.94 55.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 0.0 112.318 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 173' ' ' PRO . 13.8 m-20 -174.98 150.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -119.05 -27.0 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.72 -10.55 37.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.31 23.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 67.26 54.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 174' ' ' ASP . 0.4 OUTLIER -155.12 137.04 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.492 ' CE2' ' HG ' ' A' ' 181' ' ' LEU . 3.7 t80 -76.94 -175.94 3.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 180' ' ' PHE . 4.4 mt -39.11 149.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 68.5 m -98.97 32.63 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.2 t -73.82 71.06 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 50.1 p -130.38 137.5 49.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.169 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -86.08 45.21 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.577 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 10.8 mt -129.32 -48.67 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.473 ' CE1' HD21 ' A' ' 108' ' ' LEU . 70.6 m-70 -33.56 -59.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.414 ' CD ' HG12 ' A' ' 164' ' ' ILE . 5.2 tt0 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.8 t -59.66 -54.16 49.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.457 ' C ' ' O ' ' A' ' 189' ' ' SER . 72.6 t -33.41 -58.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.98 -63.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -37.88 -60.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.0 m -45.23 -52.38 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -50.71 -32.74 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.551 HD11 HD13 ' A' ' 145' ' ' LEU . 71.3 mt -78.43 -57.71 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 6.9 mm100 -50.42 -49.67 54.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.449 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 56.9 mm-40 -94.8 14.71 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.566 ' SG ' HG22 ' A' ' 142' ' ' ILE . 34.9 t -39.03 -33.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 204' ' ' ASN . 65.0 mm-40 -73.13 -66.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.4 OUTLIER -49.06 -20.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -79.3 -44.15 22.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -118.04 -64.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -57.37 -12.44 2.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 199' ' ' GLN . 66.5 t30 59.19 31.75 21.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -69.17 -146.17 0.19 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -109.62 148.95 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.28 115.4 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 197' ' ' GLN . 19.9 m -87.42 170.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -130.51 159.6 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -42.45 137.81 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -154.1 -171.85 21.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 67.3 m -37.25 -61.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.857 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.8 m -82.88 -60.2 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.17 -46.29 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.498 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -97.7 173.92 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.698 0.285 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -84.7 115.42 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' HB2' ' A' ' 13' ' ' PHE . 77.9 p -119.73 173.57 6.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.2 -35.38 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -112.63 -46.45 3.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' ' CB ' ' A' ' 10' ' ' SER . 8.2 m-85 -43.67 148.14 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.27 -36.69 3.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.1 mmm -64.03 155.38 78.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.79 65.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.616 2.21 . . . . 0.0 112.372 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.804 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.3 tp -40.73 -62.06 0.85 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.615 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -38.22 -35.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -77.07 -40.17 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' LEU . 24.4 mt -68.63 -49.47 58.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG21 HG13 ' A' ' 133' ' ' VAL . 16.2 m -70.39 168.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -144.04 161.69 38.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.08 -37.94 64.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.74 -39.2 87.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -139.63 110.84 7.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.548 0.69 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.71 -30.78 21.95 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' HD2' ' A' ' 28' ' ' PRO . 26.3 mm -85.36 137.08 36.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.551 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.9 Cg_endo -69.72 128.25 15.79 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.2 tt -46.1 -59.03 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 62' ' ' GLN . 33.6 t80 -34.17 -62.93 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.9 t -55.43 -39.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 29' ' ' LEU . 12.5 mt-10 -63.4 -63.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.3 ttmm -50.7 -48.22 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.957 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 99.6 m -61.12 -59.87 4.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -57.37 -67.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -40.23 -43.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' HG23 ' A' ' 41' ' ' THR . 37.1 t80 -64.63 -47.69 77.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 35' ' ' VAL . 17.9 mt -56.98 -50.67 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.4 pt-20 -68.06 -36.48 79.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -57.12 -51.93 67.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 37' ' ' PHE . 79.4 p -49.66 -45.53 48.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.29 -44.77 0.25 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 38' ' ' ILE . 7.6 tp 74.34 36.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 p -132.41 0.46 3.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 99.6 m -60.32 133.13 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 47' ' ' GLY . 82.9 mt-10 -58.79 149.62 26.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 34.15 55.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.58 -49.54 39.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.855 0.359 . . . . 0.0 110.952 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 38' ' ' ILE . 39.6 m-85 -106.61 38.99 1.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 10.2 ptt180 -128.71 -40.78 1.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 ' H ' ' A' ' 53' ' ' GLY . 88.8 t -67.35 136.3 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -41.36 -44.78 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.511 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 91.53 106.22 1.46 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' GLY . 41.0 t30 -36.89 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.935 0.398 . . . . 0.0 110.84 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' THR . 12.7 tptp -51.89 -44.26 63.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LYS . 38.9 m -35.1 -59.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -54.98 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -44.38 -38.83 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.16 -41.32 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.77 -45.02 16.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.9 mt -43.14 -39.76 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 85.2 mt-30 -88.67 -53.95 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 38.9 mtpt -48.21 -56.91 6.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -57.32 -43.7 83.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -52.65 -43.97 65.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.61 -65.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -50.82 -38.99 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -133.11 120.23 20.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -94.02 21.79 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.819 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.17 26.35 6.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.02 154.81 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -129.38 98.17 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.71 -47.26 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.75 -38.99 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.17 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 t -83.71 -32.99 25.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.47 -7.09 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 49.14 41.8 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.52 173.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 p -108.86 133.56 52.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 81' ' ' ASN . 30.3 m -40.84 -42.56 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.7 m120 -52.52 -48.59 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -60.39 3.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 65.9 t -48.25 -36.59 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.7 -46.29 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.08 -39.67 97.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.43 94.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 31' ' ' VAL . 16.5 tp -62.7 -61.97 2.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -51.63 -39.1 57.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.06 -48.08 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 t80 -40.77 -48.63 3.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -55.14 -41.83 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB1' ' NH2' ' A' ' 172' ' ' ARG . . . -60.79 -39.52 89.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.72 -47.89 81.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.8 mt -38.07 151.83 0.16 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.707 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.84 37.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -144.23 150.32 48.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.8 139.45 40.13 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' PRO . 25.2 tp -34.45 -38.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mt -97.34 123.63 51.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.64 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.391 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 8.2 m-85 -60.26 -28.17 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.3 t -59.9 -12.64 8.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 126' ' ' ILE . 40.1 mt -122.14 -17.47 7.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -34.11 -59.66 0.53 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.77 -38.16 8.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' HD13 ' A' ' 126' ' ' ILE . 50.2 mm-40 -54.48 -40.95 68.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.8 mt -66.68 -42.89 85.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 187' ' ' HIS . 68.2 mt -60.75 -50.19 74.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -57.17 -39.09 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.88 -20.79 38.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.054 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' HB3' HG21 ' A' ' 186' ' ' ILE . . . -86.03 -23.08 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -85.81 11.39 11.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.571 HD12 ' HA ' ' A' ' 119' ' ' ARG . 93.1 mt -75.61 129.68 81.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 -41.83 4.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 116' ' ' LYS . 22.3 m-20 -69.43 103.58 2.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 115' ' ' ASP . 23.1 tptm -34.47 -68.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.4 m -47.98 -56.79 6.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.457 ' HB2' HG21 ' A' ' 113' ' ' ILE . 7.9 mm-40 -46.15 -55.56 6.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.571 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -49.54 -43.79 46.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.23 -68.03 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -43.04 -43.7 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.66 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.31 -37.86 81.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 15.7 mtpp -62.96 -16.8 60.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -87.26 -21.76 25.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.659 HG23 HD22 ' A' ' 103' ' ' LEU . 20.6 mt -98.58 -37.5 6.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.7 p -50.89 -26.47 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.16 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -74.05 -39.33 63.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mttm -58.31 -25.97 62.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.3 m-85 -45.72 133.01 8.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.2 t-80 -39.91 140.69 0.85 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.558 0.694 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.77 2.47 3.51 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' ' 18' ' ' GLN . 37.0 t -108.95 -36.23 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.804 ' ND2' HD22 ' A' ' 17' ' ' LEU . 11.1 m120 -91.95 -36.79 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -50.49 -47.46 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.474 ' O ' HD11 ' A' ' 27' ' ' ILE . 3.5 m-20 -51.14 -40.05 57.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.489 ' HA ' HD12 ' A' ' 27' ' ' ILE . 44.4 t -71.88 -54.05 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.623 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.8 t80 -47.82 -50.69 25.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -55.19 -36.61 66.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -74.84 -41.73 59.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 137' ' ' VAL . 59.6 t -62.65 -60.25 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' A' ' 138' ' ' PHE . 47.3 mm -42.24 -42.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 63.8 m -59.58 -39.61 84.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.466 ' ND1' HG13 ' A' ' 35' ' ' VAL . 79.3 t60 -63.55 -59.88 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.553 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.4 mt -46.22 -44.25 16.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.13 -45.54 92.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.1 mtp85 -56.43 -32.94 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.456 HG22 ' HG ' ' A' ' 43' ' ' LEU . 90.1 t -71.06 -51.97 30.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.7 p -47.58 -31.0 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -49.24 -44.99 44.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.524 ' HG3' HD12 ' A' ' 154' ' ' ILE . 0.3 OUTLIER -104.17 36.35 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.526 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.9 p80 -57.15 -29.34 63.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 19.6 mmtp -69.17 -20.99 64.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.524 HD12 ' HG3' ' A' ' 151' ' ' GLN . 22.9 mt -102.34 -59.67 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 17.1 p30 -68.73 -17.8 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.76 51.44 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.1 mtp -157.78 119.31 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 152' ' ' HIS . 76.0 p -105.91 158.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -34.59 -40.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -66.21 -63.16 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.452 ' HA ' HD12 ' A' ' 164' ' ' ILE . 57.0 m-20 -41.83 -55.46 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 10.6 mt -61.74 -44.25 97.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.405 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.4 t -56.69 -40.48 75.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.812 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 161' ' ' ASN . 8.7 mt -70.0 -24.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.41 -6.41 54.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 10.0 m-85 -112.64 -31.5 6.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.646 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.65 -41.3 88.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 63.7 Cg_exo -47.96 -31.31 15.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 19.5 m -105.49 -62.28 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 169' ' ' THR . 53.9 mt -33.33 -34.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.1 mtp -134.44 109.51 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 32.8 mtt180 -105.45 94.9 9.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.608 0.718 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -130.56 126.84 37.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 8.1 m-85 -114.57 -32.36 5.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 175' ' ' PHE . 38.6 mt-10 -37.31 -28.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 175' ' ' PHE . 82.6 m-20 -116.79 -60.06 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 178' ' ' ARG . 0.0 OUTLIER -72.16 164.38 26.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.99 101.84 14.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.538 ' HB2' ' CD1' ' A' ' 175' ' ' PHE . 3.8 t80 -43.28 -37.78 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.83 -43.79 90.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 6.4 t -133.74 85.5 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 184' ' ' THR . 0.0 OUTLIER -128.6 -56.03 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.466 ' H ' HG23 ' A' ' 183' ' ' THR . 21.2 p -126.83 -67.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? 62.23 38.92 13.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.453 ' HB ' HD22 ' A' ' 108' ' ' LEU . 39.6 mt -134.18 -38.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.645 ' CE1' HD21 ' A' ' 108' ' ' LEU . 50.3 m-70 -37.36 -55.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 164' ' ' ILE . 4.0 tt0 -40.42 -41.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 1.8 m -80.73 -43.98 19.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -42.23 -58.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 60.3 t -61.65 -65.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.9 tt0 -33.81 -57.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -49.56 -48.91 48.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -55.52 -29.55 59.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 163' ' ' SER . 57.7 mt -82.14 -62.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.7 mm100 -47.91 -49.31 30.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 199' ' ' GLN . 20.7 mp0 -93.82 11.42 29.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.464 ' SG ' HG22 ' A' ' 142' ' ' ILE . 20.8 t -37.54 -30.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 203' ' ' TYR . 7.8 mm-40 -74.82 -67.54 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.501 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 3.2 t80 -48.25 -19.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 9.7 m-85 -79.16 -44.91 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -121.5 -49.77 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 199' ' ' GLN . 43.7 m-85 -80.36 14.03 2.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.56 27.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.12 -155.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.438 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -110.69 143.71 40.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.23 121.53 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 17.2 m -97.83 173.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -125.97 105.3 8.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -123.94 111.01 15.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.77 -149.85 6.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.6 t -160.2 176.15 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.85 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 25.4 m -34.48 -54.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.39 -48.49 3.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.457 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -81.95 173.63 12.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.717 0.294 . . . . 0.0 110.921 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -89.12 140.69 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -145.0 -177.74 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.56 -32.31 3.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -106.24 -52.34 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -46.62 142.94 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.63 -44.04 3.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 62.1 mmm -54.33 154.95 7.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.523 0.678 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD22 ' ND2' ' A' ' 134' ' ' ASN . 7.2 tp -47.46 -61.25 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.6 pt20 -37.06 -38.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -77.79 -39.81 42.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' LEU . 44.7 mt -66.35 -52.5 46.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.456 HG21 HG13 ' A' ' 133' ' ' VAL . 13.8 m -68.51 167.85 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 p -138.05 156.19 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.83 -35.09 30.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.11 -45.1 78.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.84 110.26 9.33 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.551 0.691 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -25.85 28.22 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.419 HG22 ' HG3' ' A' ' 32' ' ' GLU . 47.8 mm -83.63 129.2 60.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.646 0.736 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.494 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.2 Cg_endo -69.7 135.12 29.8 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.716 2.278 . . . . 0.0 112.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' GLU . 36.7 tp -48.73 -65.58 0.54 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' A' ' 29' ' ' LEU . 11.8 t80 -31.13 -58.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.7 t -51.61 -46.32 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' LEU . 25.4 mt-10 -68.86 -62.18 1.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' NZ ' HD11 ' A' ' 71' ' ' ILE . 23.4 ttpp -46.58 -36.96 7.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 79.7 m -78.37 -61.11 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 ' HA ' HD12 ' A' ' 38' ' ' ILE . 81.0 t -54.93 -60.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -45.96 -52.37 11.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 83' ' ' VAL . 49.6 t80 -55.93 -52.09 65.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 23.5 mt -47.71 -64.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.86 -34.1 74.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -57.67 -55.64 32.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 p -64.45 -36.68 84.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 156.13 114.94 0.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD11 HG22 ' A' ' 148' ' ' VAL . 12.8 tp -91.9 32.76 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' O ' HG22 ' A' ' 154' ' ' ILE . 24.9 p -131.86 32.96 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG21 ' A' ' 80' ' ' VAL . 62.0 m -88.5 129.44 35.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.5 136.61 44.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.73 52.73 7.54 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.618 HD22 ' CD1' ' A' ' 49' ' ' TYR . 1.8 tt -68.82 -65.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.8 m-85 -95.61 32.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.7 ptm180 -121.26 -31.8 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 53' ' ' GLY . 86.2 t -85.16 124.78 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -39.24 -45.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.469 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 100.08 147.08 20.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' LYS . 27.9 t30 -65.75 89.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.949 0.404 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -34.46 -55.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' LYS . 37.6 m -30.96 -50.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -68.02 -49.65 60.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' LYS . 29.5 mt-30 -50.86 -38.15 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -57.34 -40.84 78.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -80.58 -44.99 18.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 77.1 mt -43.98 -39.93 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -88.24 -47.43 8.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -55.91 -60.55 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -51.88 -45.52 64.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CE1' HD23 ' A' ' 29' ' ' LEU . 21.0 t80 -56.04 -38.64 70.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -59.3 -62.4 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -56.78 -39.39 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -134.14 117.53 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -90.29 18.29 6.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.3 27.42 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.525 HD11 ' NZ ' ' A' ' 33' ' ' LYS . 16.9 pt -71.01 159.07 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 6.4 t30 -123.68 102.04 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.445 HD23 ' SD ' ' A' ' 76' ' ' MET . 47.0 mt -52.85 -41.98 64.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 59.1 t -49.77 -38.17 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -83.47 -36.5 24.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.445 ' SD ' HD23 ' A' ' 73' ' ' LEU . 34.7 mtp -57.66 -13.94 4.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 56.93 37.92 29.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -80.3 174.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.1 t -112.19 148.3 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 HG21 HG21 ' A' ' 45' ' ' THR . 15.5 m -51.24 -40.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -55.32 -41.31 72.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.631 ' H ' HG23 ' A' ' 79' ' ' THR . . . -67.51 -56.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.0 t -54.08 -41.19 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.91 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.37 99.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.86 -36.52 79.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.801 0.334 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.98 -59.3 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -54.02 -40.37 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.55 -50.11 70.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 1.6 t80 -43.26 -48.66 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -51.59 -42.47 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.78 91.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.5 t70 -55.08 -48.6 73.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 52.5 mt -35.86 151.63 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -25.07 28.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -136.29 147.34 59.87 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.8 Cg_endo -69.73 138.26 37.5 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 170' ' ' LEU . 19.3 tp -37.11 -42.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.505 HD12 ' CG ' ' A' ' 171' ' ' MET . 53.8 mt -95.93 118.85 65.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.655 0.74 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.1 56.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.48 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 84.9 m-85 -63.41 -23.06 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.1 t -64.06 -11.65 31.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG23 ' A' ' 126' ' ' ILE . 26.5 mt -124.81 -16.53 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.501 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.24 -59.88 0.52 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.62 0.724 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.7 -45.6 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.457 ' HB3' HD13 ' A' ' 126' ' ' ILE . 4.8 mm-40 -49.09 -37.82 22.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.6 -45.22 69.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.63 HD22 ' HB ' ' A' ' 186' ' ' ILE . 31.6 mt -59.92 -46.75 88.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -61.6 -36.35 80.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.64 -17.02 49.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.779 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -89.6 -26.68 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -81.55 11.12 4.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.7 mt -73.07 130.71 84.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 111.158 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -44.46 2.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.29 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -70.54 102.41 2.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 115' ' ' ASP . 18.9 tptm -34.99 -57.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -52.29 -64.12 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.4 mm-40 -44.58 -51.34 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.685 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.9 ttm180 -48.32 -44.08 33.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.81 -68.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -39.05 -47.84 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -54.04 -54.05 44.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.41 -36.28 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.432 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 16.4 mtpp -66.43 -21.71 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -82.36 -25.16 34.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.658 HG23 HD22 ' A' ' 103' ' ' LEU . 18.9 mt -95.54 -33.53 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.0 p -56.99 -27.95 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -73.77 -33.17 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -65.2 -14.61 61.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.4 m-85 -57.5 134.9 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -41.1 140.93 1.08 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.5 Cg_endo -69.72 1.72 4.15 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.714 2.276 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG11 ' HA ' ' A' ' 18' ' ' GLN . 38.8 t -108.22 -40.15 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.701 ' ND2' HD22 ' A' ' 17' ' ' LEU . 8.4 m120 -87.69 -37.13 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -52.45 -47.13 66.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.79 -42.38 35.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 17' ' ' LEU . 38.9 t -73.31 -49.82 35.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 142' ' ' ILE . 92.3 t80 -47.83 -48.01 31.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.11 -37.57 77.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -73.64 -37.56 65.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 137' ' ' VAL . 82.1 t -65.6 -63.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.154 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 138' ' ' PHE . 38.1 mm -42.44 -38.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.512 HG22 ' HD2' ' A' ' 147' ' ' ARG . 93.9 m -62.6 -42.33 99.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.452 ' ND1' HG13 ' A' ' 35' ' ' VAL . 75.7 t60 -61.11 -57.32 13.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.44 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.1 mt -47.36 -52.47 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -53.22 -46.88 69.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.512 ' HD2' HG22 ' A' ' 143' ' ' THR . 25.7 mtp85 -55.65 -30.48 61.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.48 HG22 HD11 ' A' ' 43' ' ' LEU . 97.8 t -73.16 -51.86 24.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -49.16 -29.05 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -56.38 -36.68 69.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -109.32 28.87 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.605 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 1.6 p80 -55.61 -20.48 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 5.8 mptt -68.54 -20.71 64.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 44' ' ' CYS . 20.2 mt -110.68 -57.68 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.416 ' HA ' ' C ' ' A' ' 45' ' ' THR . 20.3 p30 -66.78 -17.11 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt 62.15 53.68 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 90.4 mmm -154.35 113.38 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 43.9 p -98.21 157.32 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.07 -37.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 192' ' ' GLU . 1.5 m-20 -70.86 -56.23 6.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -48.74 -51.56 28.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 49' ' ' TYR . 41.5 mt -59.24 -47.1 86.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 t -58.98 -40.31 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 164' ' ' ILE . 20.7 mt -67.46 -7.56 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 1.4 t -110.79 -19.28 12.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.462 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 7.5 m-85 -98.56 -18.75 17.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.715 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -67.1 -37.26 12.93 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -48.0 -35.44 25.37 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 0.0 112.372 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 171' ' ' MET . 30.1 m -101.67 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.474 HD22 HD23 ' A' ' 98' ' ' LEU . 86.8 mt -38.14 -26.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.505 ' CG ' HD12 ' A' ' 99' ' ' ILE . 33.2 mtp -150.96 118.86 6.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 15.5 mtm105 -92.32 136.0 26.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 175' ' ' PHE . 54.0 Cg_endo -69.71 -163.69 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.4 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 2.3 m-20 -137.48 106.99 6.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 173' ' ' PRO . 24.0 m-85 -98.49 -33.95 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -39.26 -29.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 175' ' ' PHE . 49.7 t30 -102.77 132.44 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -122.5 102.27 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 180' ' ' PHE . 7.8 pt-20 -173.11 115.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 179' ' ' GLU . 10.4 t80 -36.38 -50.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.01 178.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 t 56.71 34.96 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 183' ' ' THR . 9.0 t -90.04 121.07 31.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 28.7 p -92.71 -70.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.6 tptm 55.16 38.91 31.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.632 HG22 HG23 ' A' ' 190' ' ' VAL . 47.0 mt -110.69 -38.71 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.518 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 8.5 m-70 -36.02 -54.71 0.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -46.47 -47.82 19.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.1 m -65.56 -55.39 18.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 111' ' ' ALA . 74.9 t -35.3 -65.35 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 192' ' ' GLU . 81.0 t -44.33 -65.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.9 OUTLIER -34.58 -63.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.2 m -42.79 -57.08 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -45.93 -31.72 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 60.5 mt -81.25 -59.8 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.471 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.9 mm-40 -48.9 -50.7 33.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.479 ' N ' ' OE1' ' A' ' 197' ' ' GLN . 19.0 mp0 -93.87 14.63 18.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 14.3 t -39.39 -29.48 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 203' ' ' TYR . 42.2 mm-40 -73.33 -70.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 7.0 t80 -45.54 -21.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.407 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.5 m-85 -77.14 -42.65 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -123.64 -51.41 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.5 ' N ' ' O ' ' A' ' 199' ' ' GLN . 49.3 m-85 -78.73 10.38 3.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 44.25 26.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -58.56 -152.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.521 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.42 142.81 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.12 113.95 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.98 168.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -75.33 127.93 34.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -127.71 153.66 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.31 69.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -91.35 105.22 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -137.57 148.33 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.816 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.62 -45.53 12.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.5 p90 -107.46 173.03 6.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.78 134.21 33.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.3 p -138.89 174.44 10.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -112.35 -34.66 5.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -106.77 -52.56 2.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.8 m-85 -46.15 152.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.21 -46.89 3.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mmm -52.42 155.55 3.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.68 57.72 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 20' ' ' LEU . 10.0 tp -40.53 -60.21 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.641 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -39.13 -36.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.01 -36.14 36.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' LEU . 55.9 mt -68.62 -50.1 54.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG21 HG13 ' A' ' 133' ' ' VAL . 16.7 m -72.89 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -144.31 154.23 42.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.98 -39.86 20.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -61.86 -41.62 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -141.76 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.565 0.698 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.08 29.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.5 mm -89.3 132.47 37.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.485 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.73 127.35 14.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.1 tt -40.61 -60.66 1.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . 27.8 t80 -35.14 -65.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.742 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.9 t -44.27 -43.27 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -68.2 -61.3 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -46.25 -42.22 14.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 87.4 m -71.62 -56.18 6.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.3 t -59.77 -65.95 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 17.9 mt-10 -42.31 -43.59 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 83' ' ' VAL . 71.9 t80 -64.42 -49.28 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.755 HD13 ' OH ' ' A' ' 49' ' ' TYR . 24.5 mt -50.38 -60.2 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -66.01 -30.26 70.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 10.6 m-20 -62.23 -50.61 71.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.3 p -70.04 -41.88 73.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 119.39 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 148' ' ' VAL . 12.4 tp -96.35 25.7 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.9 p -128.57 37.8 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.419 HG21 HG21 ' A' ' 80' ' ' VAL . 74.6 m -96.02 127.13 41.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -48.59 141.06 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.457 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 38.59 54.48 2.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.45 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.0 tt -66.9 -57.35 7.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.755 ' OH ' HD13 ' A' ' 38' ' ' ILE . 25.3 m-85 -102.86 35.71 2.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.7 ptm180 -122.48 -33.57 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 53' ' ' GLY . 98.4 t -78.37 126.49 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -44.66 -40.77 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.555 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 84.43 110.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 53' ' ' GLY . 45.5 t30 -34.5 98.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.869 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' THR . 10.8 tptp -40.02 -43.73 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' LYS . 86.3 m -35.1 -59.85 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.27 -56.53 20.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.589 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.3 mt-30 -47.36 -35.85 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -57.97 -40.27 80.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -82.55 -45.42 14.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.479 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 65.5 mt -42.41 -42.54 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 56.8 mt-30 -85.11 -54.86 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 34.3 mtpt -47.25 -58.68 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -54.88 -48.15 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 32.7 t80 -51.77 -40.13 59.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -64.15 -64.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -52.5 -38.08 58.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -134.62 118.51 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -93.1 21.02 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.88 23.54 7.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.0 pt -73.46 156.97 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -128.27 97.11 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.9 mt -45.22 -40.46 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.3 t -50.78 -41.89 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -82.0 -27.9 32.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mmm -65.73 -12.65 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 55.1 41.59 31.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 m -83.56 171.73 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 82' ' ' ALA . 8.9 t -111.07 141.63 44.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.3 m -46.1 -43.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.456 ' N ' HG23 ' A' ' 80' ' ' VAL . 69.8 m-20 -50.3 -49.36 53.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.655 ' H ' HG23 ' A' ' 79' ' ' THR . . . -62.43 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.065 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 37' ' ' PHE . 92.4 t -48.26 -43.72 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.118 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.21 86.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.9 -35.86 91.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -66.95 -34.44 77.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 tp -68.09 -57.63 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -55.71 -38.22 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.92 -47.81 73.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.49 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 5.0 t80 -43.14 -46.83 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -54.48 -41.27 69.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.59 -36.9 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.61 -46.28 80.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 18.6 mt -39.98 152.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.628 0.727 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -16.07 37.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.63 2.22 . . . . 0.0 112.371 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -142.35 152.35 60.45 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 133.57 25.89 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.764 HD23 HD22 ' A' ' 170' ' ' LEU . 23.8 tp -34.36 -40.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.469 HD12 ' CG ' ' A' ' 171' ' ' MET . 64.6 mt -99.18 125.09 42.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.555 0.693 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 147.94 64.32 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.387 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.698 ' CE1' ' CE1' ' A' ' 104' ' ' HIS . 33.1 m-85 -71.63 -22.26 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.6 m -63.04 -10.63 14.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.708 HD22 HG23 ' A' ' 126' ' ' ILE . 23.7 mt -124.96 -13.71 6.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.698 ' CE1' ' CE1' ' A' ' 101' ' ' TYR . 2.7 m170 -34.74 -59.99 0.56 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.543 0.687 . . . . 0.0 110.848 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.75 -43.8 2.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -50.79 -37.02 39.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.25 -45.31 63.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.624 HD22 ' HB ' ' A' ' 186' ' ' ILE . 34.3 mt -60.16 -46.66 88.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -61.41 -31.92 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.73 -23.9 31.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.552 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -84.04 -26.67 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -81.16 10.41 5.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.591 HG21 ' HB2' ' A' ' 118' ' ' GLU . 56.6 mt -75.43 131.27 77.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 0.0 111.08 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.89 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 118' ' ' GLU . 4.2 t70 -65.67 103.27 0.85 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' ASP . 17.0 tptp -35.95 -54.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.0 m -54.07 -63.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.3 mm-40 -44.15 -51.65 7.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -49.1 -43.65 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.817 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.425 HD21 ' HG3' ' A' ' 197' ' ' GLN . 95.1 mt -69.36 -69.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -40.57 -46.68 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.55 60.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.38 -34.59 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.417 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.9 mtpp -68.52 -23.96 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -79.79 -24.05 41.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.708 HG23 HD22 ' A' ' 103' ' ' LEU . 20.7 mt -95.26 -39.55 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.531 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.0 p -50.63 -22.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -77.3 -33.86 55.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -64.59 -10.48 26.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.1 m-85 -61.47 140.39 58.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -49.19 140.69 12.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.3 Cg_endo -69.7 2.94 3.05 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.641 HG11 ' CA ' ' A' ' 18' ' ' GLN . 59.6 t -110.65 -31.73 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.099 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 3.3 m120 -97.42 -34.5 11.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -54.19 -42.36 69.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -52.74 -45.58 67.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.405 HG22 ' CD ' ' A' ' 28' ' ' PRO . 49.3 t -69.45 -54.07 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -46.86 -46.7 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -60.27 -34.29 73.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -76.3 -42.02 46.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.22 -59.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 32.3 mm -45.37 -35.47 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.404 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 78.4 m -63.38 -46.21 87.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.543 ' O ' HG23 ' A' ' 148' ' ' VAL . 86.2 t60 -64.11 -45.27 89.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.773 HD21 ' CE1' ' A' ' 166' ' ' PHE . 79.2 mt -52.29 -54.06 36.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.76 -51.21 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.404 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 13.7 mtt85 -50.87 -30.07 13.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 43' ' ' LEU . 67.6 t -73.98 -49.9 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.2 p -52.05 -35.55 47.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -47.13 -41.88 18.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.417 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.2 mp0 -103.6 35.24 2.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.469 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.8 p80 -60.63 -24.58 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.467 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 25.4 mmtp -69.56 -19.16 63.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.6 mt -109.04 -60.3 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 47' ' ' GLY . 23.8 p30 -66.76 -15.79 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.9 mt 62.57 52.61 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.71 109.66 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.469 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.2 p -96.79 162.44 13.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.454 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.73 -40.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.46 -60.12 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.645 ' HA ' HD12 ' A' ' 164' ' ' ILE . 95.9 m-20 -45.93 -49.49 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.41 -51.29 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 t -55.39 -34.64 64.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 161' ' ' ASN . 20.6 mt -70.06 -10.36 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.2 m -115.15 -0.18 13.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.773 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.8 m-85 -114.45 -37.74 4.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.658 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -58.88 -41.0 86.25 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.556 0.693 . . . . 0.0 110.907 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.7 Cg_exo -48.04 -25.48 6.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 171' ' ' MET . 12.0 m -109.24 -60.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.764 HD22 HD23 ' A' ' 98' ' ' LEU . 83.0 mt -36.36 -29.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.503 ' N ' ' O ' ' A' ' 169' ' ' THR . 69.1 mtp -140.63 109.9 6.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -82.56 117.01 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.567 0.698 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.248 . . . . 0.0 112.326 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.59 107.2 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -116.43 -36.82 3.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -37.92 -33.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -56.12 173.15 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.89 74.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -157.25 138.66 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -102.44 -179.31 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.3 mt 59.5 44.23 15.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 183' ' ' THR . 22.1 m -129.56 -38.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 182' ' ' SER . 0.1 OUTLIER -36.71 116.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.526 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 42.0 p -93.14 -41.93 9.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 184' ' ' THR . 0.3 OUTLIER 48.01 37.55 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.624 ' HB ' HD22 ' A' ' 108' ' ' LEU . 50.7 mt -114.97 -35.78 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 95.5 m-70 -34.87 -53.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -43.31 -52.18 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.0 m -61.46 -51.96 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 111' ' ' ALA . 96.5 t -39.12 -70.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 192' ' ' GLU . 50.4 t -47.17 -62.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 191' ' ' VAL . 16.4 tt0 -35.37 -61.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.7 m -47.22 -55.24 8.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.425 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 7.9 m-85 -46.12 -37.09 6.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 29.0 mt -74.95 -59.79 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.454 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.7 mm-40 -48.5 -50.27 32.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.425 ' HG3' HD21 ' A' ' 120' ' ' LEU . 46.7 mm-40 -93.36 15.64 15.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 13.9 t -39.55 -32.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 204' ' ' ASN . 39.2 mm-40 -72.26 -63.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -54.33 -14.86 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.9 m-85 -86.44 -43.6 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -116.29 -54.46 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 199' ' ' GLN . 60.1 m-85 -78.38 9.78 3.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 199' ' ' GLN . 3.3 t-20 43.06 27.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.18 -157.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -102.71 145.17 30.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 116.68 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.404 ' N ' HE22 ' A' ' 197' ' ' GLN . 12.6 m -91.2 172.45 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -52.63 100.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 m -75.69 112.43 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.6 88.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.4 m -90.42 88.31 7.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -154.07 157.31 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.29 -40.83 99.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.527 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -107.6 161.28 15.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.703 0.287 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -71.3 116.23 11.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 80.2 p -124.68 158.01 34.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -101.38 -27.76 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 4.3 t80 -112.99 -54.01 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -55.67 164.54 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.79 -46.81 2.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.3 mmm -47.44 155.17 0.76 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 145.53 57.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.3 tp -41.9 -64.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -37.97 -37.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.41 -41.03 34.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 60.6 mt -63.23 -47.98 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -73.44 169.78 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -145.81 155.3 42.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.3 -36.39 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.64 -44.58 77.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -136.02 109.64 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -29.45 23.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.458 HG23 ' HD2' ' A' ' 28' ' ' PRO . 16.2 mm -86.62 134.53 37.53 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.729 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.6 Cg_endo -69.72 126.18 13.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.9 tt -40.84 -57.73 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' LEU . 17.5 t80 -36.64 -65.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 53.1 t -46.47 -40.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -67.18 -61.2 2.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -49.06 -45.68 43.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 72.4 m -67.04 -61.82 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' ILE . 69.6 t -55.5 -66.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -41.86 -49.7 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' CB ' HD12 ' A' ' 73' ' ' LEU . 47.9 t80 -57.69 -45.32 85.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 35' ' ' VAL . 23.0 mt -58.77 -59.42 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.52 -23.62 64.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.45 -47.59 22.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.1 p -78.95 49.04 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.76 112.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.648 HD13 ' HA ' ' A' ' 39' ' ' GLU . 14.1 tp -91.88 24.97 2.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.8 p -122.4 34.78 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -86.87 120.65 28.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -51.41 141.68 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.14 53.53 4.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 11.3 tp -68.32 -50.8 50.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.4 m-85 -107.4 39.34 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 6.8 ptm180 -127.47 -38.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.62 140.47 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.2 p -58.33 -47.92 82.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.28 145.85 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -64.86 92.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 56' ' ' THR . 14.8 tptt -38.69 -42.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 55' ' ' LYS . 98.0 m -35.18 -55.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -55.86 -57.85 10.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -43.88 -38.94 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.12 -42.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' OD1' ' HE3' ' A' ' 76' ' ' MET . 1.0 OUTLIER -80.62 -46.33 15.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 70.5 mt -41.31 -40.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -86.94 -49.55 7.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -54.04 -60.66 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.27 -47.57 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -52.48 -39.27 60.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.06 -64.4 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -52.92 -38.18 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -134.08 119.38 18.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -93.24 23.89 4.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.87 17.26 7.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 pt -66.86 155.6 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.475 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 0.7 OUTLIER -126.47 108.96 11.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.7 mt -56.21 -42.94 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.475 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 26.2 t -52.46 -39.1 27.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.8 t -85.18 -25.53 27.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.529 ' HE3' ' OD1' ' A' ' 60' ' ' ASN . 29.2 mmm -66.28 -11.32 49.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 55.21 33.18 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.8 m -78.29 176.45 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 82' ' ' ALA . 11.4 t -117.18 143.02 46.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.4 m -44.52 -43.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.7 m120 -45.9 -55.32 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.57 -64.55 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -43.35 -37.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -71.91 -42.46 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.0 -39.83 88.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.38 90.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.55 -62.49 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 49.5 mtmt -52.69 -37.95 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.85 -46.52 71.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -43.59 -46.01 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -56.64 -40.6 75.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.24 88.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.16 -44.92 88.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.2 mt -37.89 149.91 0.19 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -23.11 30.87 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -135.04 144.71 51.4 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.563 0.696 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.695 2.264 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.937 HD23 HD22 ' A' ' 170' ' ' LEU . 13.7 tp -37.08 -43.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.975 HD12 ' HB2' ' A' ' 171' ' ' MET . 71.0 mt -89.1 121.19 69.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.62 ' HG2' HD12 ' A' ' 103' ' ' LEU . 53.6 Cg_endo -69.74 132.44 23.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.717 2.278 . . . . 0.0 112.331 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 19.5 m-85 -57.15 -24.26 53.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -68.16 -14.77 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 126' ' ' ILE . 21.8 mt -119.05 -16.96 9.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.531 ' CG ' ' CE ' ' A' ' 171' ' ' MET . 2.2 m170 -35.13 -59.6 0.64 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.6 Cg_endo -69.75 -44.48 2.06 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -50.7 -38.32 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.13 -42.58 79.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.601 HD21 ' CD2' ' A' ' 187' ' ' HIS . 26.9 mt -59.35 -46.71 87.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -60.86 -32.11 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.41 29.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.15 -22.68 26.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -87.19 14.84 6.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG21 ' HB2' ' A' ' 118' ' ' GLU . 41.5 mt -77.9 131.72 69.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.707 . . . . 0.0 111.145 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 116' ' ' LYS . 60.3 m-20 -72.37 100.06 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.7 tptm -34.4 -60.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 13.3 m -51.04 -56.82 10.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.537 ' HB2' HG21 ' A' ' 113' ' ' ILE . 62.2 mm-40 -50.76 -50.94 54.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.521 ' HA ' HD12 ' A' ' 113' ' ' ILE . 12.1 ttm180 -50.33 -36.89 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.4 HD21 ' HG2' ' A' ' 197' ' ' GLN . 95.9 mt -73.97 -65.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -43.91 -42.05 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.62 -54.22 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 37.2 mt -55.16 -37.05 66.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -63.98 -19.5 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.73 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.634 HG23 HD22 ' A' ' 103' ' ' LEU . 19.7 mt -96.01 -32.46 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.156 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 3.6 p -57.27 -24.83 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -75.3 -34.69 61.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -64.47 -20.68 66.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.4 m-85 -51.9 132.37 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -37.62 140.62 0.51 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.534 0.683 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.77 2.4 3.57 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.617 2.211 . . . . 0.0 112.324 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.56 HG11 ' HA ' ' A' ' 18' ' ' GLN . 48.3 t -112.23 -36.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.598 ' ND2' HD22 ' A' ' 17' ' ' LEU . 7.0 m120 -87.33 -36.95 17.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -53.23 -41.7 65.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -43.83 68.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.5 t -72.54 -49.61 40.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -52.13 -47.4 65.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -57.23 -37.55 72.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -73.46 -53.07 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 137' ' ' VAL . 67.3 t -49.44 -64.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 42.1 mm -38.79 -42.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 27.5 m -58.48 -44.82 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.482 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.9 t60 -57.28 -57.15 13.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.774 HD21 ' CE2' ' A' ' 166' ' ' PHE . 67.8 mt -48.37 -51.44 26.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 195' ' ' ILE . 27.0 t-20 -51.66 -52.56 47.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -50.93 -30.12 13.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.26 -58.14 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.0 p -41.09 -28.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -53.05 -46.42 68.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -100.76 31.79 3.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CG ' HG22 ' A' ' 158' ' ' THR . 4.6 p80 -54.69 -28.9 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.411 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 32.4 mmtt -68.45 -20.84 64.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 25.0 mt -106.27 -62.09 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -65.14 -13.5 58.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mt 59.28 50.8 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 83.6 mmm -154.96 106.99 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 152' ' ' HIS . 21.8 p -94.62 158.74 15.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.38 -43.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -67.62 -57.44 6.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.576 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.7 m-20 -44.89 -48.31 11.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 145' ' ' LEU . 14.2 mt -66.71 -49.73 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 12.4 t -52.11 -36.16 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.5 mt -65.51 -22.96 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.8 9.24 37.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.774 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.5 m-85 -125.23 -26.73 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.698 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.48 -38.34 19.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.962 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.698 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 66.0 Cg_exo -47.98 -38.92 32.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 170' ' ' LEU . 59.6 m -101.29 -63.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.937 HD22 HD23 ' A' ' 98' ' ' LEU . 86.7 mt -34.44 -39.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.975 ' HB2' HD12 ' A' ' 99' ' ' ILE . 0.8 OUTLIER -127.47 101.94 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 173' ' ' PRO . 23.8 mtm180 -109.19 96.01 20.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.611 0.719 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 172' ' ' ARG . 53.6 Cg_endo -69.77 137.78 36.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.382 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -132.22 82.86 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.824 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 176' ' ' GLU . 73.9 m-85 -126.95 -45.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 175' ' ' PHE . 5.3 mp0 30.36 50.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -94.58 -57.87 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -128.55 175.63 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -122.33 21.81 10.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.532 ' C ' ' CD1' ' A' ' 180' ' ' PHE . 1.8 t80 -126.38 -52.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.571 HD23 ' H ' ' A' ' 181' ' ' LEU . 0.1 OUTLIER -84.19 -16.2 44.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 89.0 p -61.37 -18.01 56.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 183' ' ' THR . 14.6 t -67.86 128.22 35.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.13 -53.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.37 28.01 17.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.43 HG22 HG23 ' A' ' 190' ' ' VAL . 57.4 mt -119.67 -31.7 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.601 ' CD2' HD21 ' A' ' 108' ' ' LEU . 12.0 m170 -44.92 -40.21 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.433 ' CD ' HG12 ' A' ' 164' ' ' ILE . 32.0 tt0 -64.39 -44.25 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 190' ' ' VAL . 2.0 t -64.48 -51.65 61.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.43 HG23 HG22 ' A' ' 186' ' ' ILE . 95.8 t -36.42 -63.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 53.6 t -57.13 -63.3 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.174 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 8.1 tt0 -34.16 -67.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 87.3 m -40.71 -61.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.563 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.8 m-85 -39.78 -35.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.661 HD11 HD13 ' A' ' 145' ' ' LEU . 61.9 mt -75.35 -59.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.4 mm-40 -51.06 -53.79 30.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.4 ' HG2' HD21 ' A' ' 120' ' ' LEU . 19.3 mp0 -88.55 12.1 15.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 26.0 t -39.51 -39.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 204' ' ' ASN . 13.0 mm-40 -64.98 -64.41 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.1 t80 -53.58 -16.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.7 m-85 -81.06 -46.88 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.04 -51.1 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.478 ' N ' ' O ' ' A' ' 199' ' ' GLN . 47.5 m-85 -77.44 7.84 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 199' ' ' GLN . 6.2 t-20 47.15 27.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.03 -152.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -111.46 145.94 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 40.8 mt -65.63 116.71 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 21.9 m -90.71 174.19 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -126.94 147.43 50.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 t -132.72 101.59 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.57 107.67 1.39 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.6 p -159.77 150.97 19.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -53.56 162.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.06 -42.77 23.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -81.94 169.0 17.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.741 0.305 . . . . 0.0 110.952 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -71.75 113.27 8.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -126.35 161.11 28.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.45 -35.6 8.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -109.85 -53.58 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 9.7 m-85 -40.44 125.2 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.52 -38.94 2.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.1 ptp -73.05 153.09 90.8 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.548 0.689 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 164.49 34.35 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.719 2.279 . . . . 0.0 112.375 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 137' ' ' VAL . 6.6 tp -56.33 -53.45 57.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.547 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.2 pt20 -42.4 -31.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.3 -33.73 19.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' LEU . 90.6 mt -67.77 -48.82 65.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 26' ' ' PRO . 5.1 m -79.48 170.87 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.21 147.33 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.72 -38.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -70.09 -43.92 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -131.69 100.67 16.09 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.608 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.8 Cg_endo -69.73 -25.09 29.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 33.4 mm -82.43 127.53 70.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.549 ' CD ' HG22 ' A' ' 137' ' ' VAL . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.33 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' A' ' 65' ' ' PHE . 1.8 tm? -50.75 -64.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' LEU . 18.1 t80 -31.98 -60.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 46.4 t -51.18 -44.49 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.1 mt-10 -60.07 -63.29 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -49.69 -48.09 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.4 m -62.6 -66.65 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' ND1' ' A' ' 144' ' ' HIS . 70.4 t -51.12 -66.09 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -40.99 -53.7 2.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CD2' HG21 ' A' ' 83' ' ' VAL . 67.7 t80 -55.86 -49.26 73.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.655 HD13 ' OH ' ' A' ' 49' ' ' TYR . 28.0 mt -52.14 -58.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' HA ' HD13 ' A' ' 43' ' ' LEU . 7.0 pt-20 -64.43 -28.4 69.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.73 -45.68 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.1 p -82.38 46.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.64 112.98 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD22 ' NH1' ' A' ' 147' ' ' ARG . 12.9 tp -88.26 1.15 55.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.18 27.96 5.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.2 m -80.37 132.28 35.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -57.1 142.31 42.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 39.89 56.23 2.66 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 18.2 tp -69.14 -53.44 20.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.655 ' OH ' HD13 ' A' ' 38' ' ' ILE . 35.4 m-85 -107.56 42.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.6 ptm180 -130.96 -37.52 1.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' SER . 74.4 t -72.59 119.95 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' VAL . 29.7 t -34.86 -61.47 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.819 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . 103.68 118.94 4.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -42.55 94.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -39.87 -44.22 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' LYS . 62.8 m -37.87 -54.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -58.78 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.22 -36.23 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.99 -41.95 84.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -80.62 -46.25 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 58.2 mt -40.75 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 55.8 mt-30 -82.96 -47.2 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 74.9 mttt -56.42 -64.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 8.2 mm100 -50.35 -44.31 54.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.773 ' CZ ' HD12 ' A' ' 29' ' ' LEU . 30.2 t80 -56.93 -47.71 80.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -49.81 -57.2 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 11.8 mt-30 -58.92 -37.14 75.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.63 116.82 8.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 12.0 m-70 -87.81 16.76 5.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -113.57 4.06 15.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 pt -52.0 157.59 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -124.1 101.01 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD23 ' SD ' ' A' ' 76' ' ' MET . 53.6 mt -51.57 -39.09 57.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.5 t -53.14 -37.2 26.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 t -83.37 -27.97 29.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 73' ' ' LEU . 35.2 mtp -67.41 -16.16 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 59.62 37.18 22.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.91 174.69 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -113.62 140.45 48.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.4 m -43.3 -44.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 80' ' ' VAL . 5.6 m120 -46.24 -50.05 16.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.12 -65.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG21 ' CD2' ' A' ' 37' ' ' PHE . 84.0 t -41.71 -44.0 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.35 -44.99 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.59 97.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.83 95.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 111.086 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.39 -56.14 18.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -56.62 -42.11 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.83 99.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -50.15 -43.0 51.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -57.41 -38.45 74.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.15 96.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -53.36 -48.62 68.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ASP . 44.2 mt -37.16 152.43 0.12 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.565 0.697 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -24.44 29.7 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -136.9 149.63 67.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.3 Cg_endo -69.78 136.1 32.09 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD12 HD22 ' A' ' 134' ' ' ASN . 21.8 tp -33.81 -37.94 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 97' ' ' PRO . 26.2 mt -100.29 121.34 53.83 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 111.171 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 142.03 47.08 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.725 2.283 . . . . 0.0 112.361 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.532 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 9.9 m-85 -63.56 -25.81 68.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.4 t -61.52 -11.6 11.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD22 ' HD2' ' A' ' 129' ' ' LYS . 24.1 mt -124.24 -13.62 7.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -37.33 -59.58 1.0 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.344 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.91 -38.65 23.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.0 mt -66.6 -52.62 43.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.618 HD21 ' CD2' ' A' ' 187' ' ' HIS . 23.0 mt -50.77 -45.55 59.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -59.05 -35.81 73.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.7 -23.27 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.517 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -82.54 -26.84 32.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -82.76 18.63 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 119' ' ' ARG . 90.2 mt -82.63 129.96 60.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.647 0.737 . . . . 0.0 111.075 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.15 6.82 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 14.9 m-20 -77.24 102.19 6.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 53.9 tptt -33.59 -59.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' CD2' ' A' ' 121' ' ' HIS . 5.7 m -52.35 -61.8 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.538 ' HB2' HG21 ' A' ' 113' ' ' ILE . 13.7 mm-40 -46.35 -42.52 15.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.743 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.1 ttm180 -59.51 -41.11 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.651 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.0 mt -74.11 -53.25 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.441 ' CD2' HG22 ' A' ' 117' ' ' THR . 9.5 m-70 -52.78 -39.07 61.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.11 78.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.4 mt -63.32 -37.82 88.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.429 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 26.9 mtpt -61.2 -21.15 63.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.2 -23.25 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.21 -31.13 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.547 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -61.76 -24.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -75.07 -36.27 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' HD2' HD22 ' A' ' 103' ' ' LEU . 75.7 mttt -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.547 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.1 m-85 -47.54 138.74 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -45.32 140.87 3.78 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.75 3.02 3.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.547 HG11 ' CA ' ' A' ' 18' ' ' GLN . 90.4 t -111.96 -40.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.52 HD22 HD12 ' A' ' 98' ' ' LEU . 11.6 m120 -86.26 -33.12 20.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -56.67 -47.06 80.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 4.0 m-20 -48.38 -47.84 37.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.549 HG22 ' CD ' ' A' ' 28' ' ' PRO . 42.3 t -70.89 -46.24 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -49.13 -48.32 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.556 ' HG3' ' CD1' ' A' ' 202' ' ' PHE . 36.3 ttt180 -61.54 -35.13 76.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -75.45 -29.4 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 137' ' ' VAL . 99.4 t -75.89 -63.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.4 mm -40.99 -42.64 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.7 m -58.95 -39.23 81.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.438 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.3 t60 -64.12 -50.25 68.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 77.9 mt -55.3 -47.68 75.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 27.6 t-20 -56.21 -47.69 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.599 ' NH1' HD22 ' A' ' 43' ' ' LEU . 4.0 mtp-105 -52.73 -32.1 41.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 43' ' ' LEU . 61.6 t -73.15 -54.63 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -44.9 -30.85 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -48.87 -49.91 37.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.441 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 7.9 mp0 -99.39 34.53 2.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.596 ' CE1' ' HD2' ' A' ' 153' ' ' LYS . 8.0 p80 -54.29 -14.73 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.596 ' HD2' ' CE1' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -77.75 -33.91 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 15.8 mt -94.21 -54.37 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 19.5 p30 -71.28 -11.51 60.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.0 mt 55.24 53.74 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.1 mtp -157.18 114.63 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 152' ' ' HIS . 71.4 p -101.5 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.29 -40.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -61.33 -62.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -47.89 -48.03 31.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.75 -51.5 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.2 p -56.3 -39.58 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.756 HG23 HE21 ' A' ' 188' ' ' GLN . 73.2 mt -69.45 -24.49 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -3.98 55.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.451 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 9.9 m-85 -116.09 -25.72 7.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.662 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.24 -40.22 70.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.52 0.676 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.97 -34.47 22.81 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.656 2.238 . . . . 0.0 112.397 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 170' ' ' LEU . 63.7 m -102.48 -67.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.1 mt -32.41 -40.28 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 169' ' ' THR . 13.2 mtp -123.16 100.36 6.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -92.73 110.74 47.34 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.61 0.719 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 160.82 48.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -133.6 36.0 3.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.82 -39.47 7.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 39.88 43.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -127.81 179.5 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -132.11 93.83 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 183' ' ' THR . 53.2 mt-10 -157.34 137.08 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -66.7 -28.79 68.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 68.0 mt -75.46 -47.97 24.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.8 t -60.96 -66.85 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 179' ' ' GLU . 12.4 t -49.46 140.72 10.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.437 ' OG1' ' CD2' ' A' ' 187' ' ' HIS . 66.6 p -123.91 119.33 29.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -81.54 42.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . . . . . . . . . 27.9 mt -118.38 -38.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.157 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.618 ' CD2' HD21 ' A' ' 108' ' ' LEU . 11.8 m170 -39.91 -43.25 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.756 HE21 HG23 ' A' ' 164' ' ' ILE . 10.3 mt-30 -62.61 -50.05 72.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 13.8 t -55.13 -54.32 44.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 111' ' ' ALA . 92.7 t -33.79 -52.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.87 -59.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -41.14 -58.65 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 89.4 m -48.1 -50.97 26.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.464 ' CE1' ' CE1' ' A' ' 201' ' ' PHE . 4.5 m-85 -53.03 -31.94 44.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.433 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 66.2 mt -75.65 -63.87 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.2 mm-40 -49.28 -54.03 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.651 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.1 mm100 -85.05 8.23 18.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 195' ' ' ILE . 37.4 t -37.23 -40.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 203' ' ' TYR . 90.6 mm-40 -62.27 -68.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.6 OUTLIER -49.1 -21.99 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.498 ' CE2' HD22 ' A' ' 120' ' ' LEU . 6.5 m-85 -76.85 -53.14 8.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . 0.556 ' CD1' ' HG3' ' A' ' 139' ' ' ARG . 13.8 m-85 -108.54 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 199' ' ' GLN . 50.0 m-85 -76.51 4.59 8.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 199' ' ' GLN . 56.1 t30 42.94 25.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.03 -155.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.92 143.51 29.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.3 mt -61.85 103.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.459 ' N ' HE22 ' A' ' 197' ' ' GLN . 35.0 m -66.03 176.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -113.31 109.43 18.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -57.45 -49.82 75.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.44 159.22 21.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -78.71 -48.55 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -85.57 -54.14 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.881 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.67 -41.85 2.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.443 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -104.84 159.12 16.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.289 . . . . 0.0 110.962 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 39.1 mp0 -66.3 123.72 20.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 p -135.05 164.91 26.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -108.06 -36.76 6.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -106.31 -51.44 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -46.72 141.97 3.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.41 -44.58 2.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.7 mmm -52.97 156.08 3.77 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.55 0.69 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.6 63.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.383 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD23 HG12 ' A' ' 133' ' ' VAL . 7.4 tp -42.68 -62.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.6 pt20 -35.63 -40.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.04 -41.62 50.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 17' ' ' LEU . 74.2 mt -61.65 -48.79 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.5 m -68.79 167.51 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.83 156.12 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.2 -33.88 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.92 -33.95 64.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -141.24 110.33 6.41 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.43 27.54 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG23 ' HD2' ' A' ' 28' ' ' PRO . 9.8 mm -91.26 135.28 28.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.4 Cg_endo -69.77 148.55 65.23 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.279 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' GLU . 28.2 tp -60.34 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.1 t80 -31.87 -54.52 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' VAL . 63.3 t -57.53 -46.37 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 29' ' ' LEU . 11.5 mt-10 -66.1 -61.1 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -47.13 -44.85 22.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.2 m -68.77 -62.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' A' ' 38' ' ' ILE . 99.5 t -54.34 -64.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -41.31 -39.67 1.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' HG23 ' A' ' 41' ' ' THR . 34.9 t80 -69.2 -42.91 75.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.0 mt -64.4 -52.08 59.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.879 ' HA ' HD13 ' A' ' 43' ' ' LEU . 2.5 pt-20 -66.94 -23.11 65.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -74.82 -25.31 58.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' PHE . 68.4 p -86.17 43.67 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.54 -47.39 3.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 39' ' ' GLU . 13.5 tp 74.0 32.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 m -129.11 5.93 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.6 m -59.37 128.33 36.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 55.4 mt-10 -55.56 147.35 18.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.65 62.41 0.53 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.02 -54.69 6.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 26.9 m-85 -99.8 19.16 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 5.8 ptm180 -104.16 -43.93 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 64.8 t -72.02 134.96 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.8 m -48.82 -49.58 38.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.56 123.46 3.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -45.43 119.29 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -60.63 -47.22 87.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 28.4 m -35.71 -46.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -64.7 -50.48 66.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -58.25 -35.83 72.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.12 -41.36 78.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -83.12 -44.77 14.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.8 mt -42.26 -40.39 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -87.03 -51.42 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -51.23 -59.53 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -52.96 -44.83 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -56.1 -45.12 79.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -56.99 -60.54 3.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.812 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.92 -37.81 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -134.22 121.1 20.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -94.97 21.14 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -126.34 25.49 6.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.5 pt -71.83 157.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -128.22 100.45 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.5 mt -48.03 -45.96 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -49.86 -32.84 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -87.7 -35.07 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.405 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.2 mtp -59.9 -16.69 31.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 61.69 33.73 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.9 m -75.32 175.67 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 82' ' ' ALA . 9.7 t -114.78 128.68 56.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' THR . 30.2 m -34.53 -42.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.438 ' N ' HG23 ' A' ' 80' ' ' VAL . 32.5 m120 -48.76 -50.88 31.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 79' ' ' THR . . . -61.92 -68.37 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 82.5 t -39.9 -40.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -62.34 -42.51 99.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.29 -38.91 71.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.59 -34.59 78.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -68.11 -58.15 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -56.07 -37.54 69.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.89 -53.45 53.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.808 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.6 t80 -37.94 -51.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -50.35 -40.13 48.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -68.65 -31.42 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -67.96 -46.58 71.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.808 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 93.9 mt -37.24 153.13 0.11 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -29.19 24.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 96' ' ' ASP . 1.2 p30 -130.04 147.77 66.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.455 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 53.5 Cg_endo -69.8 140.94 43.74 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.584 HD23 HD22 ' A' ' 170' ' ' LEU . 16.5 tp -42.41 -42.75 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.596 HD12 ' HG3' ' A' ' 171' ' ' MET . 33.2 mt -99.81 124.48 43.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.708 . . . . 0.0 111.16 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.43 68.88 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.519 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 96.2 m-85 -72.98 -25.32 60.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -60.41 -12.34 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.485 HD22 HG23 ' A' ' 126' ' ' ILE . 33.9 mt -122.67 -15.06 7.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.7 m170 -34.64 -60.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 110.819 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.75 -45.9 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -48.68 -35.44 13.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.0 mt -71.54 -46.09 60.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.449 ' HA ' HG21 ' A' ' 186' ' ' ILE . 20.1 mt -58.81 -46.85 86.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -58.49 -38.86 78.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 122' ' ' ALA . . . -81.44 -23.51 37.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.538 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -80.54 -29.42 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -82.2 17.68 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' ' 119' ' ' ARG . 66.7 mt -77.59 130.8 72.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.73 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.69 4.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -76.27 105.31 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' ASP . 19.5 tptm -36.52 -58.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.6 m -50.39 -64.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.1 mm-40 -44.75 -47.82 10.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.621 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.2 ttm180 -53.95 -43.61 69.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 95.8 mt -69.24 -62.87 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -46.37 -44.8 17.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' CB ' ' HB1' ' A' ' 110' ' ' ALA . . . -54.2 -55.43 28.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.97 -33.88 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.5 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 17.5 mtpp -68.02 -20.17 64.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -86.04 -24.32 26.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.485 HG23 HD22 ' A' ' 103' ' ' LEU . 20.2 mt -95.39 -33.02 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.2 p -56.69 -23.04 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -77.28 -33.04 55.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 45.0 mttm -66.94 -11.95 58.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.509 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 14.3 m-85 -61.12 136.11 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.2 t-80 -41.08 140.67 1.1 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.834 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.8 2.71 3.31 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.668 2.246 . . . . 0.0 112.361 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.511 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.0 t -109.75 -38.84 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.583 HD22 HD12 ' A' ' 98' ' ' LEU . 13.0 m120 -85.11 -39.09 18.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -50.5 -48.03 57.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.427 ' O ' HD11 ' A' ' 27' ' ' ILE . 71.1 m-20 -46.32 -48.06 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.18 -56.55 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.575 ' CE1' HG13 ' A' ' 142' ' ' ILE . 40.9 t80 -42.61 -46.36 4.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -59.79 -40.24 87.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -71.8 -39.45 69.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.38 -61.91 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.575 HG13 ' CE1' ' A' ' 138' ' ' PHE . 32.0 mm -42.45 -39.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 89.1 m -61.17 -41.4 96.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.471 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.8 t60 -61.97 -58.92 6.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.664 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 76.3 mt -46.16 -47.97 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.36 -46.38 83.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 37.0 mtp85 -53.66 -31.4 47.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 35.9 t -73.34 -51.84 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.4 p -49.44 -32.59 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -49.05 -44.55 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -104.89 35.2 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.572 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 4.9 p80 -56.58 -22.04 30.84 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 18.3 mmtp -74.25 -19.07 60.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 26.2 mt -107.24 -56.75 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -70.33 -17.56 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.4 mt 66.45 49.88 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -154.38 121.7 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.537 HG22 ' CG ' ' A' ' 152' ' ' HIS . 42.1 p -109.93 157.08 19.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 158' ' ' THR . . . -35.87 -39.49 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -61.95 1.87 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -44.26 -53.99 6.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' A' ' 145' ' ' LEU . 19.9 mt -58.34 -53.76 54.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 11.2 t -52.29 -39.05 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 164' ' ' ILE . 49.6 mt -71.03 -15.76 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.147 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.4 m -109.96 6.17 22.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.664 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 8.1 m-85 -122.51 -24.56 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.695 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.92 -38.11 21.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.698 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.695 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -48.02 -33.98 21.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.1 m -102.8 -68.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.584 HD22 HD23 ' A' ' 98' ' ' LEU . 68.4 mt -34.27 -33.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.596 ' HG3' HD12 ' A' ' 99' ' ' ILE . 28.9 mtp -136.21 110.54 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.455 ' NE ' ' HB3' ' A' ' 97' ' ' PRO . 1.4 mpt_? -89.66 138.43 28.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.616 0.722 . . . . 0.0 110.829 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.58 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.288 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -138.15 122.31 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -131.55 -35.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -68.32 -26.12 65.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -110.23 -44.0 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -64.95 122.04 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -113.47 22.03 14.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.568 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.5 t80 -112.03 175.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.568 HD23 ' CE2' ' A' ' 180' ' ' PHE . 3.5 mm? -48.2 172.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 20.0 t -122.31 48.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.13 95.12 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 41.5 p -139.21 116.32 11.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.5 pmtp? -113.29 39.25 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.538 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 20.3 mt -114.27 -44.33 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 186' ' ' ILE . 84.9 m-70 -35.45 -44.52 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -68.56 -57.31 5.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.966 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 40.8 t -46.62 -51.69 15.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.533 HG23 HG22 ' A' ' 186' ' ' ILE . 85.7 t -39.25 -66.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.631 HG12 HD11 ' A' ' 195' ' ' ILE . 79.2 t -55.45 -53.99 30.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 195' ' ' ILE . 16.5 tt0 -44.99 -67.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.0 m -41.41 -53.24 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.3 m-85 -48.96 -34.63 13.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.681 HD12 ' HA ' ' A' ' 192' ' ' GLU . 8.9 mt -78.35 -61.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.42 ' HB3' ' CG2' ' A' ' 208' ' ' VAL . 28.1 mt-30 -47.88 -50.76 25.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 199' ' ' GLN . 27.2 mp0 -92.5 10.27 30.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.479 ' SG ' HG22 ' A' ' 142' ' ' ILE . 42.4 t -38.84 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 203' ' ' TYR . 32.9 mm-40 -75.87 -61.12 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.448 ' CE1' ' HD2' ' A' ' 124' ' ' LYS . 4.3 t80 -57.06 -12.83 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 10.4 m-85 -83.97 -42.2 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -125.12 -47.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.6 m-85 -80.58 12.06 3.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 199' ' ' GLN . 12.2 t-20 43.06 29.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -61.83 -154.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.73 144.69 39.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 110.926 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 59.0 mt -64.16 118.6 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 196' ' ' GLN . 16.0 m -94.76 171.05 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -118.69 144.11 46.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 p -93.2 85.97 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.58 67.3 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -58.84 -53.29 60.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -120.04 161.9 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.37 -47.2 29.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -86.37 166.32 15.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -69.11 121.39 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.0 m -126.42 160.53 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -112.96 -35.03 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -118.38 -42.66 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -49.33 145.57 4.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.06 -43.48 3.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 29.0 mmm -56.16 155.2 13.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 150.02 67.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.698 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.1 tp -41.24 -59.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.7 pt20 -39.68 -34.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -78.97 -40.29 32.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.3 mt -66.51 -49.7 65.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.482 HG21 HG13 ' A' ' 133' ' ' VAL . 16.3 m -72.14 163.14 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.37 160.41 38.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.62 -33.91 64.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -72.26 -40.72 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -137.4 109.67 8.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.7 Cg_endo -69.77 -22.25 32.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' ' 136' ' ' ASP . 31.2 mm -89.86 132.63 35.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.2 Cg_endo -69.79 135.94 31.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.706 2.27 . . . . 0.0 112.297 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 32' ' ' GLU . 3.3 tt -50.25 -58.23 6.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' LEU . 22.5 t80 -35.94 -60.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.3 t -52.63 -40.51 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.7 mt-10 -66.69 -62.3 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -48.84 -45.19 40.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.1 m -67.22 -62.87 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.661 ' HA ' HD12 ' A' ' 38' ' ' ILE . 86.7 t -53.15 -66.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -41.18 -50.9 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 83' ' ' VAL . 52.7 t80 -57.12 -48.51 78.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.3 mt -53.04 -59.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -62.53 -26.76 68.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -69.04 -42.98 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.5 p -82.34 37.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.86 114.16 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -89.27 27.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 57.0 m -125.71 36.64 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.6 m -91.06 130.84 36.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' GLY . 86.1 mt-10 -56.61 145.38 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 34.49 59.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CG2' ' A' ' 38' ' ' ILE . 18.6 tp -71.18 -52.44 19.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.3 m-85 -105.75 38.02 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.0 ptt180 -126.65 -38.33 2.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.9 t -77.7 125.78 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 m -50.13 -44.73 52.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.58 151.62 11.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' LYS . 40.3 t-20 -57.67 90.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -35.55 -43.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 55' ' ' LYS . 95.9 m -35.88 -56.31 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.98 -57.9 8.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.5 mt-30 -45.21 -35.27 3.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.2 -41.62 88.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -82.48 -45.38 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.7 mt -41.93 -41.88 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -85.16 -49.78 7.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HE2' ' CE3' ' A' ' 8' ' ' TRP . 47.9 mttt -52.81 -61.24 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.03 -45.84 71.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -52.16 -42.06 63.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -65.35 -65.94 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -49.86 -37.86 32.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -134.54 121.98 21.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -95.82 22.21 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.72 24.22 6.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.4 pt -73.53 155.57 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.468 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.3 t30 -127.64 102.11 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -49.84 -43.14 48.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 56.9 t -51.89 -37.92 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.04 -33.5 24.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.1 mtp -61.5 -15.79 41.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 58.0 38.63 26.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.29 176.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.2 p -110.76 142.8 42.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.43 -44.4 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.114 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.482 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.1 m120 -51.71 -44.95 63.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.94 -60.43 3.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 37' ' ' PHE . 85.3 t -51.07 -39.62 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.84 -45.9 76.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.2 -40.67 99.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.14 93.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.75 -56.71 18.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -57.16 -38.62 73.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.438 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.4 t80 -44.26 -48.15 9.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -53.57 -39.64 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.66 96.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' LEU . 2.2 m-20 -53.27 -48.22 68.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 59.7 mt -37.22 151.26 0.13 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.607 0.718 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -33.89 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.342 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -123.93 148.63 57.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.652 0.739 . . . . 0.0 110.825 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.6 Cg_endo -69.77 140.81 43.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.684 HD12 HD22 ' A' ' 134' ' ' ASN . 19.1 tp -37.26 -48.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.664 HD12 ' HG3' ' A' ' 171' ' ' MET . 31.2 mt -94.2 120.9 64.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.647 0.736 . . . . 0.0 111.116 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.37 59.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.51 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 93.2 m-85 -63.95 -27.75 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 m -59.83 -12.3 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' HIS . 23.0 mt -123.3 -16.17 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -35.7 -59.58 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.528 0.68 . . . . 0.0 110.861 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.4 Cg_endo -69.76 -44.71 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -50.1 -40.02 44.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.47 -42.73 74.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.474 HD22 ' HB ' ' A' ' 186' ' ' ILE . 75.1 mt -60.17 -46.55 89.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -60.13 -36.92 78.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 -20.97 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.31 -28.27 23.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -79.84 12.02 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' A' ' 118' ' ' GLU . 51.9 mt -77.21 131.5 72.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -39.44 6.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.73 2.287 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 4.5 m-20 -69.2 121.16 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -53.3 -46.61 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.4 m -63.42 -69.97 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.623 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.3 mt-10 -39.0 -59.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -40.59 -41.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.443 HD21 ' HG2' ' A' ' 197' ' ' GLN . 96.9 mt -72.84 -67.02 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -41.64 -52.53 3.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -47.85 -47.31 31.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 120' ' ' LEU . 12.4 mt -62.84 -35.81 81.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -64.79 -20.23 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -86.02 -24.53 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . . . . . . . . . 18.1 mt -94.8 -31.94 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.0 p -59.79 -25.9 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -74.26 -36.8 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -61.27 -18.83 60.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.3 m-85 -53.74 141.73 25.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.3 t-80 -49.95 140.76 15.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.563 0.697 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.527 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.78 3.14 2.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 18' ' ' GLN . 94.9 t -108.44 -32.21 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.698 ' ND2' HD22 ' A' ' 17' ' ' LEU . 5.9 m120 -96.85 -35.9 10.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -53.76 -45.12 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.436 ' O ' HD11 ' A' ' 27' ' ' ILE . 54.2 m-20 -51.69 -44.73 63.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 43.4 t -70.43 -52.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.495 ' CE2' HG13 ' A' ' 142' ' ' ILE . 68.7 t80 -46.52 -49.63 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.513 ' HG3' ' CE2' ' A' ' 202' ' ' PHE . 58.8 ttt180 -56.46 -38.38 71.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -71.64 -48.9 44.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 144' ' ' HIS . 98.7 t -56.71 -67.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.495 HG13 ' CE2' ' A' ' 138' ' ' PHE . 48.8 mm -35.75 -39.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 97.1 m -62.31 -45.19 94.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 141' ' ' VAL . 80.6 t60 -58.22 -50.4 73.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.667 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 82.9 mt -54.79 -49.99 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -55.1 -50.22 69.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -51.76 -31.1 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.457 HG22 HD11 ' A' ' 43' ' ' LEU . 86.5 t -73.85 -53.04 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.1 p -47.67 -29.3 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -49.57 -43.4 46.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -106.99 36.95 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.485 ' CG ' HG22 ' A' ' 158' ' ' THR . 6.7 p80 -55.24 -27.35 45.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -68.12 -21.56 64.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 38.9 mt -104.87 -61.99 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -67.06 -6.62 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.6 mt 53.95 53.14 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 94.9 mmm -156.17 117.55 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.485 HG22 ' CG ' ' A' ' 152' ' ' HIS . 22.6 p -105.82 157.52 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -38.63 -41.09 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -65.0 -58.2 6.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.418 ' HA ' HD12 ' A' ' 164' ' ' ILE . 53.1 m-20 -46.1 -57.66 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 15.1 mt -55.73 -51.09 68.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 40.8 t -51.5 -44.57 62.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 161' ' ' ASN . 16.2 mt -63.52 -26.66 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.01 -5.43 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.667 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.4 m-85 -110.48 -20.31 12.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.721 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -68.7 -36.96 8.9 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.0 Cg_exo -48.0 -35.19 24.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 171' ' ' MET . 21.9 m -101.53 -69.65 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.215 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 98' ' ' LEU . 51.7 mt -32.75 -35.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.664 ' HG3' HD12 ' A' ' 99' ' ' ILE . 25.3 mtp -139.93 113.72 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -88.18 138.54 30.61 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.661 0.743 . . . . 0.0 110.83 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.448 ' CG ' ' CE2' ' A' ' 175' ' ' PHE . 53.3 Cg_endo -69.8 -175.26 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 174' ' ' ASP . 0.2 OUTLIER -134.77 66.9 1.52 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 173' ' ' PRO . 33.3 m-85 -84.08 -54.76 4.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -47.04 -41.27 16.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -44.17 157.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 178' ' ' ARG . 5.7 mmm180 -57.1 -41.03 78.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -92.08 100.68 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.851 ' HD1' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -32.88 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.851 HD22 ' HD1' ' A' ' 180' ' ' PHE . 4.6 mm? -67.87 -34.55 76.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 183' ' ' THR . 40.4 t -40.68 -35.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 182' ' ' SER . 8.7 t -34.86 135.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.544 ' O ' ' CD2' ' A' ' 187' ' ' HIS . 30.6 p -119.29 112.28 19.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 186' ' ' ILE . 45.8 mttm -60.07 -37.62 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.784 HG22 HG23 ' A' ' 190' ' ' VAL . 20.4 mt -34.92 -37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.544 ' CD2' ' O ' ' A' ' 184' ' ' THR . 51.4 m-70 -34.26 -54.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -55.54 -49.28 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 190' ' ' VAL . 4.8 t -59.35 -55.75 30.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.784 HG23 HG22 ' A' ' 186' ' ' ILE . 88.7 t -34.03 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 192' ' ' GLU . 69.4 t -54.03 -65.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 191' ' ' VAL . 28.8 tt0 -33.91 -64.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 92.4 m -40.96 -56.15 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.567 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 3.6 m-85 -48.08 -33.11 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 77.5 mt -77.21 -59.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 8.5 mm-40 -49.25 -54.61 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 120' ' ' LEU . 18.1 mp0 -89.76 14.94 10.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 25.2 t -40.8 -35.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 203' ' ' TYR . 67.1 mm-40 -70.82 -63.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.7 t80 -53.25 -15.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.8 m-85 -80.78 -43.8 19.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . 0.513 ' CE2' ' HG3' ' A' ' 139' ' ' ARG . 9.2 m-85 -124.01 -49.73 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 199' ' ' GLN . 71.3 m-85 -77.59 8.52 4.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 199' ' ' GLN . 24.3 t30 47.02 27.87 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -60.02 -152.36 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.547 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -113.01 142.94 45.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.33 113.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 20.4 m -89.09 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -128.37 109.71 11.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.928 0.394 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.0 p -121.13 143.3 49.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.14 -155.05 13.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -47.03 170.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -55.68 -54.24 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 -51.38 1.82 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.499 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -88.8 174.58 7.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.692 0.282 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -98.11 136.96 37.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -134.83 159.4 41.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.818 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -94.02 -27.67 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 2.2 t80 -110.06 -52.62 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -58.72 161.78 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.83 -46.71 2.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 mmt -51.88 158.5 1.66 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.607 0.718 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 150.68 68.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.585 HD23 HG12 ' A' ' 133' ' ' VAL . 8.4 tp -48.28 -60.11 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.5 pt20 -39.04 -35.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.66 -38.8 25.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.539 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 76.6 mt -62.93 -45.44 92.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG11 ' O ' ' A' ' 26' ' ' PRO . 4.0 m -79.79 176.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.1 p -146.61 155.43 42.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.49 -34.3 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.43 -42.49 83.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -142.08 112.74 6.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.513 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.73 -26.59 27.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.386 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mm -84.41 132.62 46.65 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.5 Cg_endo -69.81 133.96 26.73 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' PHE . 2.6 tt -48.5 -59.59 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.503 ' HB2' ' CE2' ' A' ' 65' ' ' PHE . 30.1 t80 -35.92 -60.69 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 35' ' ' VAL . 42.8 t -49.78 -43.1 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -64.22 -61.42 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -49.77 -46.18 50.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.9 m -66.16 -63.93 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 31' ' ' VAL . 96.4 t -51.56 -66.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.49 -55.6 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 83' ' ' VAL . 63.0 t80 -50.68 -44.21 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.607 HD13 ' OH ' ' A' ' 49' ' ' TYR . 21.8 mt -59.57 -58.3 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' HB3' HD13 ' A' ' 43' ' ' LEU . 4.5 pt-20 -66.34 -19.33 65.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -75.71 -45.46 36.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -83.14 37.65 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.31 116.95 0.71 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.464 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 39' ' ' GLU . 13.9 tp -94.71 22.82 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 30.4 p -123.68 33.91 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.4 m -86.13 125.23 33.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -53.23 140.97 24.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 42.0 53.84 4.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.7 tp -68.59 -49.87 55.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.685 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 31.4 m-85 -109.6 42.32 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 3.9 ptm180 -132.06 -39.29 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.7 t -72.64 132.65 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -52.87 -58.01 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.14 130.35 2.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -41.85 97.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -40.98 -43.96 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.935 179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' LYS . 52.5 m -34.24 -57.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -49.27 -55.54 12.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 36.2 mt-30 -51.48 -35.11 38.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.68 -38.24 81.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -84.78 -44.99 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.495 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 53.8 mt -43.68 -37.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -89.62 -51.83 5.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -51.74 -58.34 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -57.29 -44.31 83.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE2' ' HB2' ' A' ' 30' ' ' PHE . 47.3 t80 -54.54 -41.34 69.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -64.45 -63.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -53.4 -37.91 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -134.1 123.69 24.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -98.13 18.94 15.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -121.3 21.23 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.3 pt -72.05 155.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -129.67 102.49 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.5 mt -48.74 -43.34 37.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.33 -40.23 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -83.27 -33.41 26.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.5 mtp -61.52 -17.37 54.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 59.52 36.33 22.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.3 m -76.27 173.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.5 p -110.01 144.15 38.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 81' ' ' ASN . 24.6 m -47.88 -42.54 9.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.429 ' N ' HG23 ' A' ' 80' ' ' VAL . 16.7 m120 -54.9 -42.9 72.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.5 -61.37 2.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 37' ' ' PHE . 96.4 t -51.76 -40.28 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.685 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -66.35 -48.11 71.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.2 98.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -62.5 -40.66 97.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.078 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.6 tp -62.0 -60.61 3.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -49.82 -41.79 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.93 -52.1 64.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -37.7 -49.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -53.44 -41.99 66.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -65.14 -36.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' LEU . 15.8 m-20 -59.66 -45.77 91.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 69.1 mt -36.48 152.51 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.57 37.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 0.0 112.386 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -143.81 147.72 39.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.9 Cg_endo -69.67 134.14 27.45 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.378 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.671 HD12 HD22 ' A' ' 134' ' ' ASN . 16.2 tp -35.1 -42.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 171' ' ' MET . 69.8 mt -95.54 122.06 60.09 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.66 54.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.708 2.272 . . . . 0.0 112.296 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.508 ' CD2' ' CE1' ' A' ' 104' ' ' HIS . 70.5 m-85 -66.46 -24.35 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.5 t -62.34 -8.94 6.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 126' ' ' ILE . 20.9 mt -126.45 -11.83 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CE1' ' CD2' ' A' ' 101' ' ' TYR . 2.9 m170 -36.79 -59.83 0.86 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.85 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.69 -40.8 4.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 126' ' ' ILE . 5.1 mm-40 -55.1 -36.58 65.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.77 -41.62 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.2 mt -61.6 -48.19 82.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.976 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -60.34 -40.65 91.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.58 -12.11 58.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -96.54 -24.76 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -80.02 7.25 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.693 HG21 ' HB2' ' A' ' 118' ' ' GLU . 73.3 mt -73.59 131.39 82.38 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.598 0.713 . . . . 0.0 111.126 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -41.5 4.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 2.236 . . . . 0.0 112.352 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.6 OUTLIER -69.81 123.12 20.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 47.6 tptt -52.17 -45.39 65.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.595 HG22 ' CD2' ' A' ' 121' ' ' HIS . 13.4 m -64.97 -72.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.693 ' HB2' HG21 ' A' ' 113' ' ' ILE . 6.2 mt-10 -35.27 -52.28 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.665 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.0 ttm180 -50.16 -46.09 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.608 HD21 ' HG3' ' A' ' 197' ' ' GLN . 94.4 mt -69.38 -65.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.595 ' CD2' HG22 ' A' ' 117' ' ' THR . 27.4 m-70 -41.26 -40.64 1.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.822 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.68 -54.18 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.3 mt -56.48 -38.05 71.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 18.5 mtpp -61.15 -18.96 60.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -85.52 -20.94 28.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -100.56 -30.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p -59.77 -25.14 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -75.56 -34.37 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -65.54 -12.35 52.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 11.4 m-85 -58.33 140.58 53.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.2 t-80 -47.7 140.88 7.83 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.585 0.707 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.0 Cg_endo -69.79 2.1 3.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG12 HD23 ' A' ' 17' ' ' LEU . 61.4 t -111.84 -33.69 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.671 HD22 HD12 ' A' ' 98' ' ' LEU . 6.3 m120 -92.56 -32.8 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -58.32 -42.8 87.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.83 -46.35 67.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 141' ' ' VAL . 38.3 t -68.65 -54.77 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 142' ' ' ILE . 60.1 t80 -45.92 -47.6 16.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' A' ' 202' ' ' PHE . 39.3 ttt180 -59.81 -35.12 74.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -76.21 -35.89 58.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 137' ' ' VAL . 58.9 t -68.71 -60.55 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 138' ' ' PHE . 37.5 mm -43.12 -31.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 147' ' ' ARG . 57.8 m -68.86 -44.37 73.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 35' ' ' VAL . 82.9 t60 -58.52 -47.49 83.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 166' ' ' PHE . 82.9 mt -56.95 -53.68 55.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -52.33 -45.26 65.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.462 ' HD2' HG22 ' A' ' 143' ' ' THR . 34.7 mtp85 -55.65 -28.63 56.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 144' ' ' HIS . 59.0 t -76.12 -53.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.0 p -45.93 -28.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -51.04 -44.08 61.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.599 ' HG3' HD12 ' A' ' 154' ' ' ILE . 4.5 mp0 -106.25 35.26 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.502 ' CG ' HG22 ' A' ' 158' ' ' THR . 7.7 p80 -54.53 -31.82 57.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 44.5 mmtt -67.25 -18.35 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.599 HD12 ' HG3' ' A' ' 151' ' ' GLN . 21.3 mt -107.35 -59.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -69.4 -11.84 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.3 mt 58.64 50.57 8.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 80.5 mmm -156.15 105.44 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.502 HG22 ' CG ' ' A' ' 152' ' ' HIS . 73.3 p -91.31 162.54 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -41.21 -39.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -65.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -37.52 -53.05 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.411 ' HB3' HD22 ' A' ' 145' ' ' LEU . 23.8 mt -61.04 -52.03 66.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 10.7 t -48.96 -34.97 14.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.17 -29.51 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.86 8.51 43.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.822 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.7 m-85 -122.63 -31.27 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.683 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.32 -39.05 46.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.924 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.8 Cg_exo -47.95 -35.62 25.45 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' C ' ' A' ' 170' ' ' LEU . 42.2 m -99.44 -65.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 81.7 mt -32.09 -40.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.639 ' HG3' HD12 ' A' ' 99' ' ' ILE . 13.7 mtp -123.51 95.98 4.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -77.73 113.71 34.8 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.484 ' HG2' ' CE1' ' A' ' 175' ' ' PHE . 53.6 Cg_endo -69.77 3.82 2.55 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 65.77 51.32 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 173' ' ' PRO . 16.4 m-85 -45.64 -50.09 13.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 175' ' ' PHE . 3.3 mp0 -34.94 -45.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -93.08 168.29 11.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -118.15 143.75 46.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -149.38 131.82 15.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -61.65 -55.18 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 47.7 mt -83.99 59.9 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 4.8 t -113.6 27.05 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.6 87.18 2.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 31.6 p -125.32 123.64 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.97 40.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 187' ' ' HIS . 21.4 mt -116.29 -41.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 186' ' ' ILE . 63.9 m-70 -37.61 -43.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 19.9 tm0? -62.12 -54.27 43.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 31.7 t -52.04 -44.64 64.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 95.9 t -40.74 -64.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 90.0 t -59.8 -65.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 19.6 tt0 -34.21 -60.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 90.6 m -45.3 -53.54 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -53.17 -34.0 55.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.441 HD11 HD13 ' A' ' 145' ' ' LEU . 74.3 mt -72.67 -63.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -51.94 -44.65 64.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.608 ' HG3' HD21 ' A' ' 120' ' ' LEU . 6.5 mm100 -91.66 12.05 22.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.5 t -41.49 -26.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 204' ' ' ASN . 36.4 mm-40 -86.45 -58.74 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.551 ' O ' ' CD1' ' A' ' 200' ' ' PHE . 2.7 t80 -55.12 -16.44 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 6.1 m-85 -84.99 -50.64 7.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . 0.416 ' CE1' ' HD2' ' A' ' 139' ' ' ARG . 30.5 m-85 -108.45 -52.74 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 205' ' ' GLY . 83.7 m-85 -75.84 6.42 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.493 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 37.81 27.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -64.32 -143.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -107.22 147.33 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 208' ' ' VAL . 84.6 mt -67.24 164.24 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.636 ' N ' HG22 ' A' ' 207' ' ' ILE . 27.2 m -135.98 173.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 p -165.22 141.94 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.379 . . . . 0.0 110.853 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 t -105.28 106.23 16.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.03 -78.36 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 61.64 41.06 12.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -91.13 37.16 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 -53.94 3.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.4 p90 -104.69 172.79 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.69 0.281 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -92.35 120.99 33.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t -125.33 -177.37 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -122.07 -31.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.6 -51.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' GLN . 8.9 m-85 -49.3 140.33 10.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.76 -39.4 2.85 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mmt -56.43 156.39 11.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.05 69.07 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD22 ' ND2' ' A' ' 134' ' ' ASN . 8.9 tp -50.35 -61.27 2.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.608 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -39.54 -31.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.948 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.97 -38.58 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' LEU . 46.8 mt -66.21 -45.22 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 26' ' ' PRO . 11.8 m -79.08 174.64 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.33 161.04 37.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.6 -32.86 67.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -72.91 -36.51 67.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -140.89 109.52 6.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.2 Cg_endo -69.79 -24.42 29.57 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.237 . . . . 0.0 112.372 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.484 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -84.59 134.19 42.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.8 Cg_endo -69.79 -177.06 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -89.66 -65.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.654 ' HZ ' ' HB1' ' A' ' 86' ' ' ALA . 9.2 t80 -33.73 -56.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 ' O ' HG23 ' A' ' 35' ' ' VAL . 59.8 t -53.94 -48.11 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 29' ' ' LEU . 8.3 mt-10 -61.24 -65.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE2' HD11 ' A' ' 29' ' ' LEU . 9.2 ttmm -48.39 -46.34 37.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.9 m -65.46 -67.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 144' ' ' HIS . 83.9 t -49.77 -60.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -47.77 -48.31 30.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.639 ' CE2' HG21 ' A' ' 83' ' ' VAL . 30.0 t80 -57.97 -53.26 60.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.424 HG21 HD21 ' A' ' 48' ' ' LEU . 21.5 mt -47.53 -60.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -65.4 -31.29 72.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.82 -55.53 33.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -84.14 46.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.58 128.69 0.66 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.6 tp -105.61 7.61 32.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.34 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 8.7 m -104.53 37.49 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 HG21 HG21 ' A' ' 80' ' ' VAL . 24.1 m -88.19 136.52 32.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' GLY . 49.8 mt-10 -64.92 147.07 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 35.17 65.12 0.43 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.467 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD21 HG21 ' A' ' 38' ' ' ILE . 11.1 tp -82.22 -50.82 8.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -103.59 17.49 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.3 ptm180 -106.1 -36.03 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.37 119.96 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.3 m -46.93 -48.01 21.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.43 127.63 1.87 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.444 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -48.43 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 56' ' ' THR . 7.2 tptm -38.81 -43.45 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 55' ' ' LYS . 89.4 m -35.58 -56.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -55.15 -58.66 6.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.568 ' HA ' HD12 ' A' ' 61' ' ' ILE . 29.0 mt-30 -43.76 -39.78 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.05 -38.5 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.4 p30 -80.88 -38.36 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 83' ' ' VAL . 89.0 mt -49.64 -49.75 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 74.9 mt-30 -77.18 -53.44 7.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 30.9 mttm -48.02 -58.31 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HG3' ' HE1' ' A' ' 76' ' ' MET . 15.5 mm100 -52.06 -47.75 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 29' ' ' LEU . 15.9 t80 -52.4 -49.41 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.32 -58.44 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 64' ' ' GLN . 10.0 mt-30 -59.13 -36.96 76.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.06 117.76 11.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 65' ' ' PHE . 20.5 m-70 -87.21 5.84 36.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -117.37 30.79 7.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.4 pt -72.95 163.79 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.477 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 3.3 t30 -125.09 97.9 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 37' ' ' PHE . 73.6 mt -52.0 -42.91 63.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.477 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 97.1 t -53.16 -36.14 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.3 t -84.89 -30.02 24.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE1' ' HG3' ' A' ' 64' ' ' GLN . 28.8 mmm -62.28 -13.03 24.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 58.94 38.64 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.0 m -80.95 177.1 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 82' ' ' ALA . 78.6 p -112.28 131.2 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 81' ' ' ASN . 35.7 m -36.97 -44.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' N ' HG23 ' A' ' 80' ' ' VAL . 2.6 m120 -57.61 -42.16 82.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 79' ' ' THR . . . -63.11 -55.99 20.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 37' ' ' PHE . 98.7 t -58.32 -37.48 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.32 -49.74 68.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.42 99.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.654 ' HB1' ' HZ ' ' A' ' 30' ' ' PHE . . . -59.08 -46.86 87.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.17 -59.69 4.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -54.2 -37.43 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.05 -42.77 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -45.9 -41.5 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -59.1 -40.47 85.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.7 98.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 94' ' ' LEU . 12.7 t0 -53.54 -46.93 70.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 93' ' ' ASP . 88.4 mt -37.09 152.77 0.11 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -15.26 37.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -148.85 150.95 34.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.604 0.716 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.75 135.19 29.84 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.389 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.599 HD23 HD22 ' A' ' 170' ' ' LEU . 39.0 tp -34.13 -47.39 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.435 HD12 ' HG2' ' A' ' 171' ' ' MET . 18.7 mt -91.72 121.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 111.124 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 142.94 48.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.574 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 7.4 m-85 -61.95 -29.19 70.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.9 t -57.92 -12.0 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.802 HD22 HG23 ' A' ' 126' ' ' ILE . 35.6 mt -122.84 -17.99 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.2 m170 -34.34 -59.69 0.55 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.818 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.74 -42.06 3.75 Favored 'Trans proline' 0 C--N 1.34 0.114 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.9 -41.82 62.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -47.28 78.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.75 HD11 ' CE1' ' A' ' 187' ' ' HIS . 26.0 mt -57.46 -49.86 74.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -58.09 -32.66 68.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.44 -21.0 28.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 190' ' ' VAL . . . -85.3 -26.7 26.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -83.06 13.75 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.583 HG21 ' HB2' ' A' ' 118' ' ' GLU . 63.1 mt -77.3 130.79 73.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -45.45 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.1 m-20 -69.12 100.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 115' ' ' ASP . 14.2 tptm -34.3 -54.87 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.0 m -53.48 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.583 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.5 mm-40 -45.56 -49.32 14.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 113' ' ' ILE . 6.3 ttm180 -50.81 -41.02 57.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.43 ' CD1' HG12 ' A' ' 207' ' ' ILE . 81.9 mt -71.06 -65.86 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -42.21 -53.3 4.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.62 -51.62 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.58 -35.51 74.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -66.92 -20.61 65.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -84.24 -23.08 30.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.802 HG23 HD22 ' A' ' 103' ' ' LEU . 19.5 mt -96.96 -34.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.562 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 7.5 p -57.4 -26.62 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -73.82 -38.65 64.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -58.92 -22.27 59.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -49.72 129.65 20.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.8 t-80 -37.41 141.13 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.6 Cg_endo -69.77 2.41 3.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.608 HG11 ' CA ' ' A' ' 18' ' ' GLN . 78.8 t -109.5 -36.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.774 ' ND2' HD22 ' A' ' 17' ' ' LEU . 15.6 m120 -90.57 -36.28 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -54.27 -43.55 71.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.418 ' CB ' ' HB2' ' A' ' 26' ' ' PRO . 9.7 m-20 -50.01 -42.99 50.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.63 -51.2 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 142' ' ' ILE . 80.4 t80 -47.09 -45.32 21.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 46.2 ttt-85 -63.22 -35.36 80.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -77.7 -29.88 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.19 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.595 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.6 mm -42.38 -45.34 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 87.8 m -55.96 -39.38 71.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.1 t60 -65.64 -52.82 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 166' ' ' PHE . 85.1 mt -51.69 -44.97 63.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -60.18 -46.68 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -53.55 -32.85 52.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.24 -52.43 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 p -50.04 -35.21 24.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -47.0 -40.36 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.473 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 1.3 mp0 -106.96 33.27 4.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.434 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 5.9 p80 -53.81 -31.81 50.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 23.5 mmtp -65.33 -22.59 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 27.3 mt -102.17 -61.74 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 11.3 p30 -67.73 -7.97 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.1 mt 58.31 50.06 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.0 mtp -153.15 121.81 6.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 159' ' ' ALA . 19.4 p -106.6 156.66 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -36.49 -44.18 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -65.09 0.72 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -40.46 -54.23 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.3 mt -55.78 -55.91 26.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 3.1 p -49.82 -46.29 50.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.5 mt -63.76 -27.5 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.54 -0.04 57.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 145' ' ' LEU . 7.9 m-85 -117.75 -23.3 7.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.7 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -65.51 -38.17 24.22 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.861 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.7 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.2 Cg_exo -47.99 -40.33 33.16 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 171' ' ' MET . 45.7 m -95.38 -66.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.599 HD22 HD23 ' A' ' 98' ' ' LEU . 84.6 mt -31.64 -37.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 169' ' ' THR . 37.7 mmm -131.54 106.62 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -80.8 112.92 36.06 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.729 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -129.45 91.67 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 176' ' ' GLU . 59.8 m-85 -102.81 -45.35 5.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 175' ' ' PHE . 68.4 mt-10 -34.31 -38.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 175' ' ' PHE . 8.2 m120 -118.5 167.08 11.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -146.42 108.8 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -119.47 22.14 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.544 ' O ' ' CG ' ' A' ' 180' ' ' PHE . 67.3 t80 42.14 41.19 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 93.0 mt -156.97 149.28 23.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 t 66.89 43.68 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.6 94.93 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.172 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 82.1 p -119.87 155.05 33.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.105 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.82 41.91 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 187' ' ' HIS . 13.3 mt -106.49 -38.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.75 ' CE1' HD11 ' A' ' 108' ' ' LEU . 19.2 m-70 -34.33 -37.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 186' ' ' ILE . 14.5 tm0? -60.68 -51.52 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 186' ' ' ILE . 38.5 m -62.38 -45.17 94.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 111' ' ' ALA . 84.5 t -40.1 -63.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.83 -58.2 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -41.39 -51.1 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 80.9 m -54.26 -54.98 32.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.141 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.445 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -46.58 -30.08 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 42.1 mt -83.25 -57.67 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.4 mm100 -50.81 -38.21 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 199' ' ' GLN . 47.5 mm-40 -106.74 14.94 26.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 197' ' ' GLN . 3.8 t -37.46 -32.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 91.6 mm-40 -72.85 -70.81 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 2.5 t80 -43.92 -22.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.445 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 10.3 m-85 -77.16 -50.21 13.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -111.52 -52.45 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 73.5 m-85 -79.66 10.4 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 40.12 28.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -59.63 -156.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -101.55 144.71 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.43 HG12 ' CD1' ' A' ' 120' ' ' LEU . 96.5 mt -63.64 111.25 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 196' ' ' GLN . 24.4 m -83.99 169.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 63.86 42.24 6.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -83.36 -52.57 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.16 159.66 53.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -79.31 -47.38 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 7' ' ' GLY . 21.2 m -56.18 141.44 40.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.2 -40.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -108.29 163.41 13.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.947 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.85 122.96 24.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.6 p -130.0 157.84 41.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.69 -33.33 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CZ ' HD22 ' A' ' 20' ' ' LEU . 6.1 t80 -108.05 -52.44 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -57.96 158.13 7.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.76 -49.46 4.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.5 mtp -49.6 155.11 1.45 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.58 63.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD22 ' ND2' ' A' ' 134' ' ' ASN . 9.5 tp -42.88 -61.13 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' N ' HG11 ' A' ' 133' ' ' VAL . 2.9 pt20 -37.97 -35.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.09 -37.59 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD22 ' CZ ' ' A' ' 12' ' ' TYR . 50.6 mt -65.04 -50.91 64.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 m -73.17 171.92 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -146.99 154.59 41.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.59 -37.42 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.67 -42.83 85.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -138.55 108.56 7.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.533 0.682 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -22.01 32.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.384 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 28' ' ' PRO . 47.0 mm -90.8 133.19 32.82 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.4 Cg_endo -69.77 123.82 10.47 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PRO . 2.4 tt -37.1 -53.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -41.45 -68.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 28' ' ' PRO . 41.4 t -43.54 -41.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.81 -60.2 3.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 73' ' ' LEU . 11.5 ttmm -49.59 -46.45 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 83' ' ' VAL . 77.8 m -65.83 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 72.5 t -51.25 -66.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -42.98 -54.86 4.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 83' ' ' VAL . 61.4 t80 -51.56 -46.04 63.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 18.2 mt -59.95 -59.47 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 43' ' ' LEU . 6.1 pt-20 -60.98 -26.52 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.37 -42.35 59.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -81.52 39.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.08 109.98 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.5 tp -86.81 33.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.3 p -133.26 33.89 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.7 m -85.8 134.55 33.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.82 136.26 57.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 47.0 58.12 6.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 10.6 tp -72.83 -53.82 10.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.544 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 41.8 m-85 -106.3 38.98 1.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 23.2 ptt85 -127.3 -40.92 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' SER . 98.6 t -72.91 114.32 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' VAL . 1.3 t -36.63 -43.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.24 125.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -41.29 98.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -44.85 -39.0 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.2 m -40.59 -53.21 2.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.54 -55.91 28.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -46.13 -38.14 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -55.54 -43.46 75.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 1.1 p30 -78.6 -50.34 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 78.6 mt -36.63 -43.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.47 -50.77 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -50.85 -60.85 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -53.57 -42.02 67.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -55.81 -41.1 73.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.18 -64.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -53.04 -37.58 61.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -133.7 120.51 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -95.91 23.15 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -127.17 24.62 6.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.6 pt -73.29 154.89 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.473 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 4.5 t30 -127.05 99.74 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD11 ' HG2' ' A' ' 33' ' ' LYS . 55.1 mt -48.98 -44.5 41.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 50.6 t -51.15 -37.16 17.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.2 t -85.09 -28.87 25.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 78' ' ' VAL . 33.1 mmm -66.17 -12.65 57.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 55.2 39.0 31.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 76' ' ' MET . 27.6 m -80.84 174.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -112.68 141.97 45.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG23 ' N ' ' A' ' 81' ' ' ASN . 33.5 m -47.29 -45.73 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.526 ' N ' HG23 ' A' ' 80' ' ' VAL . 11.5 m120 -50.08 -31.87 14.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.43 -62.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 37' ' ' PHE . 95.9 t -47.83 -37.71 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -68.42 -44.85 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.54 -39.38 97.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.91 91.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.92 -56.26 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -57.85 -42.36 84.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.89 95.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.459 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.1 t80 -44.45 -51.96 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -47.97 -45.19 31.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.78 80.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.83 -47.99 79.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 60.8 mt -39.5 152.33 0.2 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -22.27 32.17 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.318 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -134.98 146.51 58.91 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.607 0.717 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 142.69 48.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.633 HD23 HD22 ' A' ' 170' ' ' LEU . 27.1 tp -41.01 -51.84 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.8 mt -90.91 120.82 68.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 151.12 69.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.557 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 97.6 m-85 -69.53 -28.94 66.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 t -57.07 -13.15 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.739 HD22 HG23 ' A' ' 126' ' ' ILE . 41.4 mt -120.8 -16.38 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.47 -59.9 0.54 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 54.0 Cg_endo -69.78 -42.89 2.99 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -49.81 -44.96 49.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.6 mt -64.13 -45.73 87.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 56.1 mt -57.95 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -57.16 -38.18 73.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.72 -24.15 41.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.71 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -83.03 20.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.596 HD12 ' HA ' ' A' ' 119' ' ' ARG . 60.5 mt -82.0 130.78 59.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 111.161 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -39.68 6.22 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 116' ' ' LYS . 3.0 m-20 -74.01 101.59 3.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 115' ' ' ASP . 31.7 tptt -32.79 -69.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.514 HG22 ' CD2' ' A' ' 121' ' ' HIS . 56.8 m -47.36 -53.73 13.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.424 ' CB ' HG21 ' A' ' 113' ' ' ILE . 8.5 mm-40 -49.0 -53.9 17.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.596 ' HA ' HD12 ' A' ' 113' ' ' ILE . 17.8 ttm180 -48.43 -36.96 15.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.7 mt -76.79 -67.47 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.514 ' CD2' HG22 ' A' ' 117' ' ' THR . 25.4 m-70 -40.92 -37.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.42 -53.22 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 13.3 mt -54.56 -38.58 66.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -61.79 -25.94 67.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.93 -15.35 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.739 HG23 HD22 ' A' ' 103' ' ' LEU . 16.3 mt -104.36 -35.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.572 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.9 p -56.97 -25.36 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.12 -37.46 61.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -58.88 -24.92 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 17.1 m-85 -45.41 139.47 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 6.7 t-80 -47.96 140.89 8.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.3 Cg_endo -69.74 3.11 2.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.538 HG12 HD23 ' A' ' 17' ' ' LEU . 84.2 t -107.85 -36.13 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.624 ' ND2' HD22 ' A' ' 17' ' ' LEU . 6.5 m120 -95.0 -36.27 11.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -51.38 -47.16 62.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.7 -41.75 44.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 64.0 t -72.68 -52.44 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.442 ' CE1' HD11 ' A' ' 142' ' ' ILE . 73.6 t80 -47.04 -49.8 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -58.09 -34.15 69.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -74.22 -49.32 23.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 84.4 t -56.42 -62.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' A' ' 138' ' ' PHE . 46.0 mm -42.46 -38.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . 0.417 ' CG2' ' NH1' ' A' ' 147' ' ' ARG . 87.7 m -60.49 -44.64 95.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 35' ' ' VAL . 85.5 t60 -64.34 -45.57 87.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.477 HD13 HD11 ' A' ' 195' ' ' ILE . 78.6 mt -53.55 -54.86 31.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 195' ' ' ILE . 12.1 t-20 -51.23 -51.99 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.417 ' NH1' ' CG2' ' A' ' 143' ' ' THR . 11.7 mtt85 -49.55 -31.56 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 144' ' ' HIS . 63.0 t -72.65 -55.57 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.1 p -47.13 -34.25 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.92 -48.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.36 36.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.7 p80 -58.54 -28.25 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 66.3 mmtt -65.22 -22.17 66.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.2 mt -104.29 -61.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -64.94 -13.96 58.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.6 mt 61.69 50.38 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 85.5 mmm -153.72 117.78 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 8.6 p -105.39 157.63 17.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -40.14 -39.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -59.93 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 52.3 m-20 -49.19 -57.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -51.78 -50.05 61.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.8 t -55.4 -43.13 74.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.462 HG12 ' NE2' ' A' ' 188' ' ' GLN . 25.6 mt -66.08 -22.78 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 27.5 m -99.48 -0.94 39.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.446 ' C ' ' HD2' ' A' ' 168' ' ' PRO . 6.8 m-85 -116.54 -23.8 8.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -66.21 -38.24 20.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.537 0.684 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.3 Cg_exo -47.94 -33.8 21.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 171' ' ' MET . 29.1 m -102.12 -67.97 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.633 HD22 HD23 ' A' ' 98' ' ' LEU . 75.0 mt -33.19 -36.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 169' ' ' THR . 15.9 mtp -130.94 107.22 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -85.4 120.54 73.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 110.833 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 178.03 4.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.674 2.25 . . . . 0.0 112.353 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.73 113.58 4.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.51 -48.43 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.62 44.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -135.85 164.77 27.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . . . . . . . . . 51.5 mtm-85 -52.51 -30.33 29.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 180' ' ' PHE . 29.7 mt-10 -85.97 23.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 179' ' ' GLU . 8.0 t80 -35.49 -53.34 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 22.0 mt -78.2 67.03 3.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.861 ' O ' HG23 ' A' ' 184' ' ' THR . 3.6 m -129.96 -36.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 182' ' ' SER . 47.0 p -36.25 124.39 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.861 HG23 ' O ' ' A' ' 182' ' ' SER . 70.0 p -137.9 149.3 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 17.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 190' ' ' VAL . 10.3 mt -95.35 -43.36 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 186' ' ' ILE . 98.0 m-70 -33.98 -49.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.462 ' NE2' HG12 ' A' ' 164' ' ' ILE . 11.1 tt0 -57.13 -59.91 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 190' ' ' VAL . 28.6 t -51.28 -50.78 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.473 HG23 HG22 ' A' ' 186' ' ' ILE . 95.2 t -33.57 -66.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 192' ' ' GLU . 68.7 t -55.37 -61.02 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.0 OUTLIER -35.87 -55.87 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 86.2 m -52.66 -50.58 62.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.472 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 4.2 m-85 -52.28 -36.33 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.485 ' O ' ' ND2' ' A' ' 146' ' ' ASN . 59.2 mt -75.95 -63.43 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.486 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 14.8 mt-30 -48.81 -49.94 36.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.414 HE22 ' N ' ' A' ' 208' ' ' VAL . 37.2 mm-40 -91.65 14.95 13.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 5.6 t -40.99 -32.61 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.819 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 203' ' ' TYR . 58.0 mm-40 -69.79 -70.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 3.5 t80 -46.08 -20.85 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.472 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.6 m-85 -78.77 -44.73 22.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -119.88 -51.36 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.506 ' N ' ' O ' ' A' ' 199' ' ' GLN . 75.0 m-85 -80.21 13.31 2.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 4.1 t30 39.66 27.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -57.73 -155.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.487 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -107.6 142.37 37.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.08 120.25 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.414 ' N ' HE22 ' A' ' 197' ' ' GLN . 6.3 m -90.45 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -147.22 177.75 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.86 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -146.09 132.51 19.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -73.89 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -127.51 -46.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 p -145.45 130.26 18.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.16 -39.42 12.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -100.98 161.21 13.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.308 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -90.88 142.65 27.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 t -147.41 168.22 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.889 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -93.65 -29.77 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -107.09 -51.56 2.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -61.13 154.31 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.74 -46.87 3.7 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mmm -45.39 156.87 0.38 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 145.97 58.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.611 HD23 HG12 ' A' ' 133' ' ' VAL . 7.9 tp -45.49 -60.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.5 pt20 -39.66 -32.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -86.39 -36.29 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' LEU . 75.8 mt -65.44 -45.75 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 7.0 m -76.3 170.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -138.55 151.84 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.13 -35.57 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.106 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -72.47 -42.89 64.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -133.48 106.11 12.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.519 0.676 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.492 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.4 Cg_endo -69.77 -22.72 31.66 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 137' ' ' VAL . 24.5 mm -90.81 132.58 34.35 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 132.56 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.273 . . . . 0.0 112.306 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.3 tt -44.86 -58.06 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' LEU . 21.3 t80 -36.76 -65.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.0 t -44.65 -40.08 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -69.91 -60.52 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -48.12 -42.65 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -71.2 -60.53 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 31' ' ' VAL . 79.1 t -54.63 -64.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -43.73 -50.33 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -57.18 -44.27 83.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.741 HD13 ' OH ' ' A' ' 49' ' ' TYR . 25.4 mt -59.76 -58.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HA ' HD13 ' A' ' 43' ' ' LEU . 5.7 pt-20 -62.73 -26.56 68.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -72.73 -49.11 33.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -78.37 47.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.51 105.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.3 tp -84.53 5.23 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 p -103.85 29.32 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.4 m -79.89 140.09 36.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -65.5 143.07 57.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 40.11 52.91 3.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.55 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 11.2 tp -66.8 -53.54 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.741 ' OH ' HD13 ' A' ' 38' ' ' ILE . 47.1 m-85 -108.46 43.68 1.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 4.1 ptm180 -131.58 -37.28 1.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG12 ' H ' ' A' ' 53' ' ' GLY . 63.7 t -72.82 127.31 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.2 p -45.52 -45.78 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 85.09 143.83 6.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.05 98.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -38.97 -44.74 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 55' ' ' LYS . 91.0 m -34.63 -56.72 0.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.41 -57.65 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 61' ' ' ILE . 35.0 mt-30 -48.72 -36.44 16.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -57.36 -42.64 82.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' OD1' ' CE ' ' A' ' 76' ' ' MET . 0.8 OUTLIER -81.72 -40.67 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 58' ' ' GLN . 96.6 mt -45.88 -43.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -82.73 -48.2 11.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -56.97 -63.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -47.63 -46.11 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -52.61 -43.64 65.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.41 -63.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.4 -38.56 63.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -133.45 118.96 18.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -91.52 13.77 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.71 26.63 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 pt -66.26 164.74 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' ND2' ' HB ' ' A' ' 74' ' ' VAL . 5.5 t30 -128.52 99.29 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.556 HD23 ' SD ' ' A' ' 76' ' ' MET . 61.2 mt -50.48 -42.56 54.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' HB ' ' ND2' ' A' ' 72' ' ' ASN . 92.3 t -51.3 -38.58 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.1 t -83.06 -32.76 26.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.556 ' SD ' HD23 ' A' ' 73' ' ' LEU . 49.0 mtp -61.25 -9.95 5.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 51.39 44.64 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.9 m -86.81 173.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.3 p -115.92 140.98 48.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.452 ' HB ' ' CD1' ' A' ' 48' ' ' LEU . 19.3 m -44.47 -42.15 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.2 m120 -51.63 -46.59 63.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.85 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 69.4 t -48.59 -37.07 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.644 ' HB1' ' CE1' ' A' ' 49' ' ' TYR . . . -69.48 -43.4 73.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.84 -42.05 87.12 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.89 -37.94 80.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.43 -59.67 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -52.45 -37.79 57.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -67.0 -52.35 43.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.461 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 2.2 t80 -37.22 -48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -52.96 -41.59 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -62.28 -39.27 92.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 10.7 m-20 -58.44 -45.07 89.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 63.4 mt -36.9 152.64 0.1 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -19.21 36.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 1.3 t70 -143.55 145.52 31.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.59 0.71 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 96' ' ' ASP . 54.4 Cg_endo -69.72 138.05 37.04 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.2 tp -39.14 -44.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.729 HD12 ' HG3' ' A' ' 171' ' ' MET . 81.0 mt -95.41 116.46 66.32 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.594 0.711 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 144.88 55.3 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.556 ' HA ' ' CD2' ' A' ' 104' ' ' HIS . 95.9 m-85 -64.62 -23.74 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.9 t -61.64 -12.29 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD22 HG23 ' A' ' 126' ' ' ILE . 22.9 mt -123.25 -15.64 7.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 101' ' ' TYR . 2.5 m170 -34.15 -60.15 0.5 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.71 . . . . 0.0 110.839 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.72 -41.46 4.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.739 2.293 . . . . 0.0 112.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -53.42 -37.74 62.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.71 -39.1 77.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 187' ' ' HIS . 67.2 mt -63.95 -51.4 64.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.03 -36.63 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.18 -20.84 31.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -85.08 -21.82 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -86.38 13.41 8.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 119' ' ' ARG . 71.6 mt -75.79 130.47 78.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -41.5 4.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.272 . . . . 0.0 112.331 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' LYS . 20.2 t0 -73.91 99.94 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' ASP . 42.0 tptt -33.87 -49.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.5 m -58.16 -67.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.577 ' HB2' HG21 ' A' ' 113' ' ' ILE . 38.3 mm-40 -42.93 -47.42 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.669 ' HA ' HD12 ' A' ' 113' ' ' ILE . 8.1 ttm180 -53.81 -39.49 65.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.427 HD21 ' HG2' ' A' ' 197' ' ' GLN . 91.5 mt -71.4 -61.08 1.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -51.35 -38.04 51.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.19 96.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.79 -33.91 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -64.61 -21.25 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.79 -24.98 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.575 HG23 HD22 ' A' ' 103' ' ' LEU . 21.4 mt -95.9 -32.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.53 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 5.5 p -58.28 -23.33 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -77.19 -34.37 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -64.98 -14.99 61.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 15.2 m-85 -56.49 140.44 46.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.8 t-80 -46.57 140.57 5.66 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.5 Cg_endo -69.7 1.91 3.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.611 HG12 HD23 ' A' ' 17' ' ' LEU . 61.5 t -112.57 -30.18 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.075 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -94.96 -34.16 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.504 ' HE2' HG22 ' A' ' 127' ' ' VAL . 46.1 t80 -58.43 -41.6 85.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.39 -46.97 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.515 ' O ' HG23 ' A' ' 141' ' ' VAL . 28.5 t -69.59 -45.1 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 142' ' ' ILE . 71.0 t80 -52.96 -50.51 63.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -55.37 -38.91 69.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -72.18 -43.35 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 137' ' ' VAL . 86.8 t -61.54 -60.09 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.583 HD11 ' CE1' ' A' ' 138' ' ' PHE . 34.9 mm -43.02 -41.47 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 94.9 m -60.34 -41.89 94.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.452 ' CG ' HG13 ' A' ' 35' ' ' VAL . 74.8 t60 -59.72 -58.17 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.899 HD21 ' CE1' ' A' ' 166' ' ' PHE . 92.2 mt -48.03 -45.96 32.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -56.75 -49.53 74.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -51.53 -33.11 30.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 43.7 t -71.95 -55.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.2 p -45.25 -30.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -49.26 -46.42 46.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.617 ' HG3' HD12 ' A' ' 154' ' ' ILE . 11.4 mp0 -106.61 38.29 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CE1' ' HE3' ' A' ' 153' ' ' LYS . 6.1 p80 -55.4 -29.01 57.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.504 ' HE3' ' CE1' ' A' ' 152' ' ' HIS . 21.4 mmtp -69.07 -23.45 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.617 HD12 ' HG3' ' A' ' 151' ' ' GLN . 20.6 mt -101.03 -60.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.7 p30 -66.07 -18.03 65.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt 66.51 50.63 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 77.8 mmm -157.15 116.12 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.473 HG22 ' CG ' ' A' ' 152' ' ' HIS . 40.3 p -102.05 155.17 18.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.442 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -35.72 -42.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -67.77 -56.94 7.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.658 ' HA ' HD12 ' A' ' 164' ' ' ILE . 71.5 m-20 -46.71 -48.66 20.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 145' ' ' LEU . 10.3 mt -65.19 -51.93 58.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.5 t -50.66 -30.91 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 161' ' ' ASN . 19.4 mt -71.06 -29.37 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.058 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.01 3.44 53.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.899 ' CE1' HD21 ' A' ' 145' ' ' LEU . 7.3 m-85 -114.97 -29.32 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.694 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -63.99 -38.59 37.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.97 -34.32 22.47 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.661 2.241 . . . . 0.0 112.327 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.484 ' O ' ' C ' ' A' ' 170' ' ' LEU . 24.6 m -100.78 -66.7 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 169' ' ' THR . 70.9 mt -31.42 -41.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.729 ' HG3' HD12 ' A' ' 99' ' ' ILE . 55.2 mtp -122.73 90.72 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -66.6 118.16 51.42 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.409 ' C ' ' OD1' ' A' ' 174' ' ' ASP . 54.2 Cg_endo -69.74 179.28 3.8 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.715 2.276 . . . . 0.0 112.395 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 173' ' ' PRO . 0.2 OUTLIER -175.21 147.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.408 ' O ' ' C ' ' A' ' 176' ' ' GLU . 43.0 m-85 -129.43 -41.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 175' ' ' PHE . 42.8 mt-10 -36.75 -72.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -64.88 -177.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.414 ' C ' ' HG2' ' A' ' 179' ' ' GLU . 23.9 mmt180 -45.83 105.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.414 ' HG2' ' C ' ' A' ' 178' ' ' ARG . 34.0 mm-40 -150.18 131.58 14.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.2 t80 -88.86 -173.6 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.577 HD23 ' CE2' ' A' ' 180' ' ' PHE . 3.5 mm? -53.45 154.99 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 99.0 p -96.75 44.57 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 2.7 t -106.37 55.8 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 44.4 p -130.61 120.91 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -92.28 -28.44 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.529 ' O ' HG23 ' A' ' 190' ' ' VAL . 14.6 mt -49.22 -46.97 18.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.461 ' CD2' HD21 ' A' ' 108' ' ' LEU . 5.2 m-70 -34.55 -40.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.65 -47.69 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 190' ' ' VAL . 34.4 t -51.19 -49.88 60.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 186' ' ' ILE . 47.9 t -34.49 -57.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.23 -55.69 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -39.9 -67.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 61.4 m -41.13 -58.78 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.552 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 2.9 m-85 -41.56 -34.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 43.7 mt -76.91 -60.04 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 11.4 mm100 -48.32 -52.77 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.427 ' HG2' HD21 ' A' ' 120' ' ' LEU . 17.8 mp0 -91.72 15.8 12.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 18.1 t -40.7 -36.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 203' ' ' TYR . 46.0 mm-40 -69.19 -65.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 200' ' ' PHE . 1.9 t80 -50.05 -18.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 11.4 m-85 -80.56 -43.57 20.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.36 -51.97 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 199' ' ' GLN . 58.5 m-85 -77.55 6.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.957 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 199' ' ' GLN . 34.5 t30 46.97 29.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -62.43 -151.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -110.47 143.79 40.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.7 119.21 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 17.6 m -94.43 170.08 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p -52.36 117.96 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -76.83 151.95 35.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.79 47.03 10.17 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -81.55 47.96 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -144.49 135.85 25.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.67 -36.66 8.35 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.414 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.2 p90 -101.16 164.52 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -87.03 113.37 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 t -118.71 -178.19 3.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -111.92 -30.46 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.03 -54.28 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.08 148.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.88 -39.46 2.96 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 23.5 mtp -56.64 154.23 18.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 147.61 63.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' ND2' ' A' ' 134' ' ' ASN . 10.8 tp -44.5 -62.45 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CA ' HG11 ' A' ' 133' ' ' VAL . 3.4 pt20 -35.85 -38.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.72 -40.96 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' LEU . 50.9 mt -63.61 -52.18 62.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -70.37 174.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.5 p -146.74 157.93 43.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.44 45.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.69 -45.69 88.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -136.89 110.79 9.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.78 33.04 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' HD2' ' A' ' 28' ' ' PRO . 42.0 mm -90.32 132.42 35.7 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.585 0.707 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.496 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 54.0 Cg_endo -69.77 121.14 7.83 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 32' ' ' GLU . 46.7 tp -34.97 -64.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 12.9 t80 -32.14 -58.99 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 35' ' ' VAL . 25.5 t -52.89 -43.59 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' LEU . 23.3 mt-10 -67.69 -63.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -47.91 -40.57 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 75.1 m -71.34 -60.28 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 31' ' ' VAL . 89.1 t -56.29 -66.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -41.6 -47.4 3.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' CD2' HG21 ' A' ' 83' ' ' VAL . 65.8 t80 -59.89 -45.7 91.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD13 ' OH ' ' A' ' 49' ' ' TYR . 20.7 mt -58.68 -58.54 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.3 pt-20 -62.63 -30.17 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.41 -43.19 77.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.7 p -84.85 46.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.84 109.28 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 39' ' ' GLU . 12.7 tp -86.41 9.87 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.408 ' O ' HG22 ' A' ' 154' ' ' ILE . 29.7 p -109.96 38.72 2.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.0 m -90.31 134.81 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -60.94 139.64 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.15 55.99 3.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 38' ' ' ILE . 13.8 tp -72.31 -51.18 21.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.866 0.365 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 38' ' ' ILE . 28.1 m-85 -105.3 37.29 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 51' ' ' VAL . 4.6 ptm180 -126.58 -42.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 53' ' ' GLY . 79.0 t -67.97 138.09 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 p -65.74 -34.85 79.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.635 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 71.41 140.96 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -52.24 101.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -41.32 -41.12 1.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.6 m -39.24 -49.13 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.12 -53.08 61.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 32.3 mt-30 -54.94 -36.59 65.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.61 -41.79 77.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' CG ' ' N ' ' A' ' 61' ' ' ILE . 2.1 p30 -82.24 -48.9 10.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 60' ' ' ASN . 93.4 mt -38.57 -35.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -89.6 -50.98 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -54.34 -57.61 10.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -57.86 -40.05 79.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -58.16 -38.8 77.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -71.07 -63.09 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.51 -36.81 46.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -135.62 112.06 9.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -88.08 22.25 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -125.98 22.14 7.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.0 pt -71.83 156.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -129.67 97.09 4.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 ' SD ' ' A' ' 76' ' ' MET . 48.5 mt -43.39 -46.35 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.5 t -46.51 -39.01 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.0 t -83.3 -30.8 27.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.489 ' HB3' HG13 ' A' ' 78' ' ' VAL . 34.1 mtp -64.66 -11.89 40.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.15 36.53 19.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 76' ' ' MET . 28.8 m -75.37 178.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.2 p -115.65 136.1 53.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 27.0 m -42.46 -44.18 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.1 m120 -51.19 -38.01 49.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.35 -61.48 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 37' ' ' PHE . 93.0 t -48.65 -37.86 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.62 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.51 -42.08 97.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.89 91.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.9 tp -61.3 -57.24 13.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 166' ' ' PHE . 50.2 mtmt -56.5 -38.7 72.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -66.4 -48.5 69.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.589 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -39.05 -50.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -51.88 -39.56 59.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -61.59 -43.66 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' LEU . 4.7 m-20 -56.02 -49.75 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.589 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 42.4 mt -35.18 152.54 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -22.18 32.75 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.362 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.91 150.02 58.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.709 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 98' ' ' LEU . 53.4 Cg_endo -69.77 138.95 38.98 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.591 HD23 HD22 ' A' ' 170' ' ' LEU . 30.3 tp -35.87 -39.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.563 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 11.3 mt -100.55 126.21 36.51 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.584 0.707 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 142.3 47.69 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 27.3 m-85 -62.78 -25.52 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.8 m -61.16 -13.63 19.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.672 HD22 HG23 ' A' ' 126' ' ' ILE . 23.5 mt -121.51 -13.61 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.517 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.6 m170 -38.88 -59.11 1.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.864 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.8 Cg_endo -69.76 -44.13 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -52.16 -34.23 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.6 mt -73.44 -44.13 58.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.3 mt -58.55 -43.84 89.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -62.7 -44.01 97.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 122' ' ' ALA . . . -77.46 -14.87 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.507 ' HB3' ' CG2' ' A' ' 186' ' ' ILE . . . -89.17 -25.99 21.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -84.69 16.17 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 119' ' ' ARG . 92.0 mt -78.98 130.22 70.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.38 4.24 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 116' ' ' LYS . 2.4 m-20 -77.06 103.07 6.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 115' ' ' ASP . 56.2 tptt -33.81 -59.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.459 HG22 ' CD2' ' A' ' 121' ' ' HIS . 3.4 m -49.19 -59.94 3.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.664 ' HB2' HG21 ' A' ' 113' ' ' ILE . 65.3 mm-40 -48.61 -45.88 38.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 113' ' ' ILE . 9.6 ttm180 -55.91 -47.34 77.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.799 HD21 ' HG3' ' A' ' 197' ' ' GLN . 46.6 mt -65.84 -64.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.459 ' CD2' HG22 ' A' ' 117' ' ' THR . 19.1 m-70 -43.76 -43.0 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.408 ' HB3' ' HB1' ' A' ' 110' ' ' ALA . . . -61.11 -52.5 64.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.8 mt -58.59 -37.94 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -61.73 -23.54 66.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -82.0 -13.73 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.672 HG23 HD22 ' A' ' 103' ' ' LEU . 17.8 mt -106.93 -33.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.567 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.9 p -59.61 -26.49 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -73.18 -36.82 66.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -61.33 -22.94 65.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 13.2 m-85 -48.23 142.78 5.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 5.4 t-80 -53.02 141.04 40.41 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.596 0.712 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.9 Cg_endo -69.73 3.34 2.81 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.461 HG12 HD23 ' A' ' 17' ' ' LEU . 57.2 t -109.16 -36.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.516 ' ND2' HD22 ' A' ' 17' ' ' LEU . 9.6 m120 -91.86 -33.72 14.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.89 -46.38 78.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.61 -41.3 41.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.0 t -73.84 -50.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.569 ' CE1' HG13 ' A' ' 142' ' ' ILE . 52.1 t80 -48.34 -51.05 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.66 -38.05 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -71.96 -40.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.01 -61.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.9 mm -41.7 -43.68 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 62.7 m -58.63 -38.31 77.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.411 ' ND1' HG13 ' A' ' 35' ' ' VAL . 85.3 t60 -64.79 -52.94 54.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.687 HD21 ' CE2' ' A' ' 166' ' ' PHE . 86.7 mt -51.16 -48.29 61.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -57.25 -46.67 82.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -53.29 -31.8 45.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.91 -50.87 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 p -51.14 -31.1 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.24 -38.7 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -109.65 32.44 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.7 p80 -57.99 -19.13 28.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.585 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -68.97 -22.37 64.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 44' ' ' CYS . 21.6 mt -108.13 -55.87 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -67.67 -18.66 65.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.5 mt 64.0 52.84 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 mtp -159.34 122.15 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 152' ' ' HIS . 47.0 p -105.98 170.7 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.472 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -44.68 -34.62 2.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.128 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -65.9 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.683 ' HA ' HD12 ' A' ' 164' ' ' ILE . 74.1 m-20 -38.92 -46.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.582 ' HB3' HD22 ' A' ' 145' ' ' LEU . 43.3 mt -65.65 -53.96 34.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.459 ' HB2' HD12 ' A' ' 195' ' ' ILE . 4.5 t -54.81 -28.4 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 161' ' ' ASN . 49.9 mt -71.36 -19.42 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.57 10.04 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.687 ' CE2' HD21 ' A' ' 145' ' ' LEU . 8.3 m-85 -122.86 -32.83 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -64.31 -38.14 31.2 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.4 Cg_exo -47.95 -20.78 2.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 21.3 m -119.58 -58.43 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.591 HD22 HD23 ' A' ' 98' ' ' LEU . 72.7 mt -42.09 -34.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . . . . . . . . . 11.8 mtp -126.03 106.9 9.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -112.49 96.67 37.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 111.21 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -126.3 35.2 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.4 ' HB3' ' OD1' ' A' ' 177' ' ' ASN . 18.1 m-85 -64.87 -45.62 85.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 63.79 39.75 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.4 ' OD1' ' HB3' ' A' ' 175' ' ' PHE . 0.5 OUTLIER -142.92 113.39 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 182' ' ' SER . 6.4 tpt180 -84.88 51.54 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.53 -10.66 36.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.571 ' CE2' HD23 ' A' ' 181' ' ' LEU . 1.5 t80 -152.22 -179.91 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 180' ' ' PHE . 2.9 mm? -54.64 144.13 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB2' ' NH2' ' A' ' 178' ' ' ARG . 15.4 t -61.07 -31.85 71.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . . . . . . . . . 10.9 t -66.88 137.26 56.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.48 -60.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? 58.34 38.9 25.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.507 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 18.4 mt -123.64 -49.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 186' ' ' ILE . 79.6 m-70 -34.79 -54.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.07 -46.06 90.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 186' ' ' ILE . 4.3 m -57.88 -49.87 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 92.1 t -38.84 -63.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 192' ' ' GLU . 79.8 t -60.75 -65.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 191' ' ' VAL . 9.1 tt0 -34.09 -57.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 88.7 m -49.44 -53.77 21.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.568 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.0 m-85 -50.32 -33.29 19.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 163' ' ' SER . 59.5 mt -75.07 -65.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 28.0 mt-30 -49.39 -48.21 47.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.799 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.8 mm100 -88.81 6.98 36.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 197' ' ' GLN . 8.3 t -36.35 -33.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 204' ' ' ASN . 62.3 mm-40 -73.38 -70.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.534 ' CD1' HD13 ' A' ' 120' ' ' LEU . 2.1 t80 -44.7 -26.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 9.1 m-85 -70.63 -62.13 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -100.88 -58.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -66.96 -3.88 8.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 199' ' ' GLN . 20.9 t-20 48.9 33.33 4.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -71.82 -156.05 2.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -92.01 150.54 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 93.0 mt -73.86 113.68 12.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.433 HG22 HE22 ' A' ' 197' ' ' GLN . 20.0 m -74.24 172.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -81.36 82.91 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 m 54.49 42.64 31.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.62 103.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -71.97 100.09 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t 61.45 37.17 16.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.99 -49.0 3.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CD1' ' C ' ' A' ' 8' ' ' TRP . 1.4 p90 -89.91 167.68 12.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.709 0.29 . . . . 0.0 110.903 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -78.16 133.84 37.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.7 t -143.8 162.08 36.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -107.51 -28.94 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 12' ' ' TYR . 2.3 t80 -107.51 -52.83 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.03 159.01 12.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.8 -47.3 3.77 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.7 mmm -50.21 157.03 1.24 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.568 0.699 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HG2' ' CG ' ' A' ' 19' ' ' ASP . 53.9 Cg_endo -69.78 143.35 50.44 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.725 HD22 ' ND2' ' A' ' 134' ' ' ASN . 8.1 tp -40.18 -63.01 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.1 pt20 -37.0 -36.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.44 ' CG ' ' HG2' ' A' ' 16' ' ' PRO . 2.0 m-20 -80.47 -39.31 28.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 17' ' ' LEU . 40.4 mt -64.09 -45.36 89.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 26' ' ' PRO . 14.1 m -79.07 175.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.4 p -144.51 156.81 44.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.84 -37.86 32.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.15 -42.81 88.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -138.76 109.59 7.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.554 0.692 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.595 ' O ' HG11 ' A' ' 21' ' ' VAL . 53.3 Cg_endo -69.79 -21.57 33.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.694 2.262 . . . . 0.0 112.321 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 136' ' ' ASP . 44.9 mm -86.78 130.6 48.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.649 0.737 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' HG2' ' CG2' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -69.78 133.95 26.76 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.729 2.286 . . . . 0.0 112.305 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 65' ' ' PHE . 2.6 tt -46.17 -59.13 3.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' LEU . 24.9 t80 -35.27 -60.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -50.48 -41.27 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.6 mt-10 -67.78 -62.96 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . 13.0 ttmt -48.12 -41.48 26.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.2 m -71.36 -59.93 2.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 31' ' ' VAL . 85.9 t -57.8 -66.1 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 29.7 mt-10 -41.31 -37.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CD2' HG21 ' A' ' 83' ' ' VAL . 76.8 t80 -73.3 -50.95 19.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.773 HD13 ' OH ' ' A' ' 49' ' ' TYR . 18.8 mt -50.87 -47.29 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 43' ' ' LEU . 2.0 pt-20 -75.61 -33.72 60.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 23.7 m-20 -55.1 -24.55 26.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.5 p -86.2 -42.14 14.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 145.5 133.48 2.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 148' ' ' VAL . 3.2 mp -89.16 27.61 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 15.6 p -127.58 36.93 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 48' ' ' LEU . 44.2 m -98.54 106.4 18.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -37.99 132.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.61 50.19 14.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.461 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD22 ' CD1' ' A' ' 49' ' ' TYR . 4.4 tt -66.12 -57.66 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.773 ' OH ' HD13 ' A' ' 38' ' ' ILE . 27.2 m-85 -100.79 36.37 1.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 15.9 ptt85 -126.06 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.03 140.84 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 m -96.6 121.21 38.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -78.51 142.4 25.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 55' ' ' LYS . 64.4 t-20 -34.44 110.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' ASN . 8.4 tptp -34.14 -44.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' LYS . 25.3 m -35.3 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -60.08 -56.4 22.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -53.33 -35.82 60.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.41 -42.08 86.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 3.3 p30 -81.16 -50.23 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 96.9 mt -37.98 -39.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -88.26 -48.59 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 46.5 mttm -56.2 -60.09 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -52.61 -46.2 66.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' HE1' HD13 ' A' ' 29' ' ' LEU . 18.4 t80 -52.78 -40.29 63.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -66.98 -65.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -50.69 -37.73 42.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -135.41 124.63 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -97.04 22.04 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.79 25.83 6.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.1 pt -75.24 155.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -128.53 98.38 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.519 HD23 ' SD ' ' A' ' 76' ' ' MET . 58.7 mt -46.09 -45.51 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.2 t -50.06 -36.67 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.3 t -83.48 -28.19 28.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.519 ' SD ' HD23 ' A' ' 73' ' ' LEU . 38.2 mtp -68.61 -10.36 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.84 39.32 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -81.73 172.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 t -113.03 141.17 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 81' ' ' ASN . 29.6 m -45.29 -45.2 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.469 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.4 m120 -49.53 -35.93 21.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 -66.66 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 37' ' ' PHE . 80.4 t -45.86 -43.7 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.73 87.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.74 -39.51 95.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.8 75.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.03 -54.2 14.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -59.11 -35.27 73.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.7 -44.57 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.648 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 3.2 t80 -45.37 -48.22 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.448 ' O ' ' NH2' ' A' ' 172' ' ' ARG . 51.6 m-85 -51.55 -41.59 61.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.888 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' LEU . 3.4 t70 -56.96 -45.98 82.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.648 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 34.4 mt -37.16 152.67 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.44 37.68 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.72 149.76 40.97 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.0 63.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.314 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.676 HD12 HD22 ' A' ' 134' ' ' ASN . 19.2 tp -50.24 -45.99 54.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 41.3 mt -92.84 119.84 67.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.163 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.91 52.49 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.666 2.244 . . . . 0.0 112.402 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 76.8 m-85 -63.82 -23.91 67.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -63.67 -10.09 17.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.814 HD22 HG23 ' A' ' 126' ' ' ILE . 37.0 mt -124.71 -15.61 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.499 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 2.5 m170 -34.28 -59.9 0.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.555 0.693 . . . . 0.0 110.807 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.7 Cg_endo -69.78 -47.38 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.492 ' HB3' HD13 ' A' ' 126' ' ' ILE . 19.7 mm-40 -45.81 -36.63 5.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 56.4 mt -69.94 -51.68 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 187' ' ' HIS . 24.5 mt -55.7 -44.6 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.6 -35.75 76.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.58 -19.65 38.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.048 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.33 -22.46 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -85.86 15.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 118' ' ' GLU . 45.6 mt -81.64 131.77 56.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.71 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -44.35 2.11 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 116' ' ' LYS . 1.7 m-20 -71.9 102.67 2.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 115' ' ' ASP . 28.5 tptt -32.83 -67.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.614 HG22 ' CD2' ' A' ' 121' ' ' HIS . 4.1 m -46.25 -57.97 4.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HB2' HG21 ' A' ' 113' ' ' ILE . 68.3 mm-40 -48.75 -46.55 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 113' ' ' ILE . 11.0 ttm180 -55.86 -41.77 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.43 -63.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.614 ' CD2' HG22 ' A' ' 117' ' ' THR . 19.2 m-70 -43.62 -38.05 2.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.65 -48.59 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.9 mt -61.01 -34.33 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -64.78 -23.24 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.97 -18.08 48.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.814 HG23 HD22 ' A' ' 103' ' ' LEU . 22.9 mt -101.98 -36.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.545 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 9.8 p -54.03 -22.24 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -77.21 -35.82 55.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -60.67 -28.23 68.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.545 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 20.4 m-85 -42.78 137.17 2.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.5 t-80 -45.5 140.61 4.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.528 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.8 Cg_endo -69.74 3.39 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.236 . . . . 0.0 112.361 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.555 HG12 HD23 ' A' ' 17' ' ' LEU . 84.3 t -111.3 -29.87 2.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.725 ' ND2' HD22 ' A' ' 17' ' ' LEU . 10.2 m120 -98.87 -35.42 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -53.17 -45.16 68.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 27' ' ' ILE . 1.8 m-20 -54.18 -39.92 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 27' ' ' ILE . 47.3 t -72.71 -53.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.534 ' CE1' HD11 ' A' ' 142' ' ' ILE . 87.2 t80 -48.33 -48.61 36.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 44.6 ttt-85 -57.28 -40.36 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -70.77 -40.77 72.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 144' ' ' HIS . 84.3 t -63.76 -63.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' A' ' 138' ' ' PHE . 45.8 mm -39.77 -37.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 58.5 m -63.76 -41.18 98.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.483 ' ND1' HG13 ' A' ' 35' ' ' VAL . 86.2 t60 -62.94 -49.86 73.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.672 HD21 ' CE1' ' A' ' 166' ' ' PHE . 86.9 mt -55.32 -47.64 75.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.01 -48.81 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.765 ' C ' HD23 ' A' ' 43' ' ' LEU . 35.0 mtp85 -50.96 -34.97 31.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.873 HG22 ' HG ' ' A' ' 43' ' ' LEU . 47.3 t -69.1 -51.96 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 p -47.66 -28.85 2.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -52.09 -40.25 60.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.47 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.8 mp0 -109.25 33.4 4.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 153' ' ' LYS . 2.6 p80 -60.0 -19.38 52.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.592 ' HD2' ' CD2' ' A' ' 152' ' ' HIS . 0.0 OUTLIER -69.14 -21.88 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 21.7 mt -108.7 -53.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 21.2 p30 -69.26 -19.74 63.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.4 mt 65.95 49.54 1.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.435 ' N ' ' OD1' ' A' ' 155' ' ' ASN . 17.7 mtp -155.93 120.5 4.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.583 HG22 ' CG ' ' A' ' 152' ' ' HIS . 33.9 p -109.9 170.81 7.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.445 ' HB3' ' CG ' ' A' ' 196' ' ' GLN . . . -47.69 -28.09 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -76.42 -60.54 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 68.0 m-20 -48.04 -47.17 33.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 145' ' ' LEU . 17.8 mt -64.32 -52.51 58.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 195' ' ' ILE . 2.1 t -52.25 -34.72 47.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 65.8 mt -71.82 -27.69 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 2.0 m -97.2 6.2 48.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.672 ' CE1' HD21 ' A' ' 145' ' ' LEU . 6.7 m-85 -120.01 -26.23 5.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.2 OUTLIER -66.24 -37.32 15.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.941 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 64.6 Cg_exo -47.95 -31.83 16.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.392 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.495 ' O ' ' C ' ' A' ' 170' ' ' LEU . 22.8 m -104.79 -67.0 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.495 ' C ' ' O ' ' A' ' 169' ' ' THR . 79.7 mt -30.6 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' THR . 23.8 mtp -120.37 58.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 171' ' ' MET . 64.8 mtt180 -33.64 96.71 0.1 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.434 ' N ' ' O ' ' A' ' 171' ' ' MET . 53.9 Cg_endo -69.7 139.39 40.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.26 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.73 58.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 176' ' ' GLU . 11.3 m-85 -119.99 -37.47 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.553 ' OE2' ' CZ ' ' A' ' 180' ' ' PHE . 48.0 mm-40 -34.43 -43.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -81.68 -56.13 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.462 ' NH1' ' HB2' ' A' ' 178' ' ' ARG . 9.4 ttm105 -70.7 -179.15 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 178' ' ' ARG . 47.0 mm-40 -33.85 99.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.553 ' CZ ' ' OE2' ' A' ' 176' ' ' GLU . 5.2 t80 -99.24 179.18 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.1 mt 66.46 32.59 7.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 2.0 t -173.01 105.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 184' ' ' THR . 5.3 t -162.7 137.32 6.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 183' ' ' THR . 81.0 p -33.55 -49.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt 73.76 27.59 1.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 187' ' ' HIS . 31.6 mt -102.38 -33.62 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.553 ' CD2' ' H ' ' A' ' 187' ' ' HIS . 13.8 m-70 -32.31 -51.22 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -47.65 -60.96 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 190' ' ' VAL . 3.4 t -52.46 -51.69 58.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 189' ' ' SER . 26.0 t -35.13 -71.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 192' ' ' GLU . 91.0 t -44.27 -65.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 191' ' ' VAL . 0.4 OUTLIER -37.01 -54.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 95.2 m -48.87 -50.32 35.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.76 -43.16 68.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.418 HD11 HD13 ' A' ' 145' ' ' LEU . 56.2 mt -68.4 -59.91 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 159' ' ' ALA . 19.8 mt-30 -48.19 -48.93 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -95.78 20.6 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.1 t -41.23 -32.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 203' ' ' TYR . 82.2 mm-40 -73.98 -71.13 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 3.2 t80 -42.96 -24.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 199' ' ' GLN . 10.3 m-85 -79.83 -43.73 21.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -116.65 -55.35 2.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 199' ' ' GLN . 54.8 m-85 -78.91 11.31 2.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 40.17 28.75 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 203' ' ' TYR . . . -60.12 -150.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -104.44 147.81 27.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . . . . . . . . . 92.0 mt -67.96 112.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.52 168.85 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -80.91 177.42 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -132.75 -43.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.22 59.69 6.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -109.51 142.68 40.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.92 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.6 t -63.97 166.5 7.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.2 -41.14 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.571 ' CZ3' ' HE2' ' A' ' 63' ' ' LYS . 1.3 p90 -105.19 169.54 8.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -84.95 134.13 34.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 p -139.94 176.14 8.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -119.16 -35.38 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.411 ' HA ' ' SD ' ' A' ' 15' ' ' MET . 17.6 t80 -102.19 -32.67 9.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -80.27 122.83 27.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.15 -39.12 2.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 12' ' ' TYR . 6.7 ptm -61.19 152.78 70.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.549 0.69 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.66 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.0 tp -44.18 -59.66 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' CA ' HG11 ' A' ' 133' ' ' VAL . 2.8 pt20 -37.74 -36.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -84.06 -36.59 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 17' ' ' LEU . 42.9 mt -64.79 -47.08 79.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.0 m -75.0 167.92 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -143.69 158.44 43.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.9 -38.95 58.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.26 -39.12 93.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -144.22 114.09 5.3 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.592 0.71 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -25.9 28.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.505 HG23 ' HD2' ' A' ' 28' ' ' PRO . 33.2 mm -88.56 134.98 33.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' A' ' 27' ' ' ILE . 53.7 Cg_endo -69.77 146.94 61.69 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 30' ' ' PHE . 51.2 tp -64.93 -64.34 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 90' ' ' PHE . 33.4 t80 -31.64 -50.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' HA ' HD13 ' A' ' 87' ' ' LEU . 84.8 t -64.93 -46.34 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 29' ' ' LEU . 13.0 mt-10 -62.75 -59.6 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -47.01 -43.25 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.6 m -69.02 -64.78 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 38' ' ' ILE . 98.3 t -50.5 -62.82 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -45.16 -51.84 10.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.463 ' CB ' HD12 ' A' ' 73' ' ' LEU . 45.3 t80 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 35' ' ' VAL . 20.2 mt -49.45 -66.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.11 -34.15 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.95 -53.99 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.1 p -62.89 -46.37 88.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.97 103.61 0.17 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 HD11 HG22 ' A' ' 148' ' ' VAL . 12.5 tp -76.93 1.59 17.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -104.6 42.4 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.477 HG21 HG21 ' A' ' 80' ' ' VAL . 37.3 m -98.42 137.13 37.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.99 137.24 57.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 44.6 57.71 5.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 14.8 tp -73.08 -53.21 11.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CD1' ' HB1' ' A' ' 84' ' ' ALA . 36.5 m-85 -105.63 37.55 2.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 5.1 ptm180 -126.07 -39.98 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 53' ' ' GLY . 60.3 t -71.54 126.67 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.2 t -47.55 -43.63 25.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' H ' HG12 ' A' ' 51' ' ' VAL . . . 84.62 134.51 2.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' LYS . 43.9 t30 -53.61 93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' ASN . 3.1 tptm -35.04 -43.09 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' LYS . 93.0 m -36.01 -56.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.04 -58.87 5.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -45.64 -36.62 4.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.6 -41.73 86.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -80.52 -47.51 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 69.6 mt -40.44 -44.0 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.34 -52.96 6.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.571 ' HE2' ' CZ3' ' A' ' 8' ' ' TRP . 38.5 mttt -49.89 -61.62 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -51.46 -43.75 62.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 29' ' ' LEU . 16.8 t80 -55.55 -45.52 77.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -57.19 -61.76 2.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.62 -37.53 73.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -134.04 121.38 21.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -96.01 21.16 9.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.84 21.89 8.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 pt -68.63 154.84 8.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -128.83 98.18 4.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 37' ' ' PHE . 43.6 mt -43.12 -43.11 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -50.76 -41.27 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -81.88 -25.89 34.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtp -72.29 -4.39 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 44.85 42.75 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.1 m -81.91 172.07 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.0 p -105.56 137.08 43.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 45' ' ' THR . 28.6 m -42.08 -42.87 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 80' ' ' VAL . 13.2 m120 -53.87 -46.27 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -59.46 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.54 -39.27 28.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 49' ' ' TYR . . . -64.87 -48.07 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.91 -43.3 99.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.36 94.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 31' ' ' VAL . 20.0 tp -57.2 -59.75 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -56.35 -37.3 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' ALA . . . -62.31 -50.71 70.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.714 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 4.2 t80 -40.05 -51.24 2.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -50.82 -38.51 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 89' ' ' ALA . . . -63.55 -41.36 98.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' LEU . 9.7 t70 -57.38 -49.16 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 90' ' ' PHE . 66.4 mt -35.53 152.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.73 36.39 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -148.82 146.48 21.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.2 Cg_endo -69.7 137.89 36.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.348 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' PRO . 19.2 tp -33.12 -41.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.548 HG22 ' CD2' ' A' ' 104' ' ' HIS . 83.0 mt -96.21 116.75 66.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 135.42 30.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.526 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 78.2 m-85 -52.79 -27.11 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.7 t -58.65 -24.99 62.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.847 HD22 HG23 ' A' ' 126' ' ' ILE . 20.4 mt -113.12 -19.86 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.548 ' CD2' HG22 ' A' ' 99' ' ' ILE . 2.0 m-70 -34.1 -59.43 0.54 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 110.854 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.9 Cg_endo -69.78 -48.44 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.629 2.219 . . . . 0.0 112.353 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -47.0 -41.0 15.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.95 -44.08 86.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 187' ' ' HIS . 56.8 mt -57.04 -50.34 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.29 -38.07 85.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.62 -20.31 47.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.887 ' CB ' HG22 ' A' ' 190' ' ' VAL . . . -86.33 -25.25 25.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.46 16.52 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 118' ' ' GLU . 35.7 mt -76.92 132.25 71.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 111.17 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -44.25 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.472 ' O ' ' C ' ' A' ' 116' ' ' LYS . 6.5 m-20 -70.55 101.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 115' ' ' ASP . 41.1 tptt -31.95 -71.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.605 HG22 ' CD2' ' A' ' 121' ' ' HIS . 7.2 m -45.43 -52.75 9.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.43 ' HB2' HG21 ' A' ' 113' ' ' ILE . 5.9 mm-40 -50.89 -47.62 60.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -56.44 -44.64 80.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.557 HD21 ' HG3' ' A' ' 197' ' ' GLN . 85.3 mt -67.64 -59.58 3.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.605 ' CD2' HG22 ' A' ' 117' ' ' THR . 21.0 m-70 -49.74 -44.4 48.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.59 -48.03 80.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.61 -33.55 76.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.47 ' HD2' ' CE1' ' A' ' 200' ' ' PHE . 24.1 mtpt -63.53 -24.33 67.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -80.48 -18.8 47.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.847 HG23 HD22 ' A' ' 103' ' ' LEU . 18.2 mt -100.43 -36.04 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.559 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 8.3 p -56.0 -26.63 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -73.32 -38.44 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -58.71 -21.74 55.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 16.4 m-85 -49.69 125.53 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.546 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 8.8 t-80 -33.94 140.99 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.548 0.689 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.546 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 53.4 Cg_endo -69.82 4.42 2.22 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.495 HG11 ' CA ' ' A' ' 18' ' ' GLN . 97.1 t -113.36 -32.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 17' ' ' LEU . 10.5 m120 -93.34 -34.59 13.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -55.23 -49.9 70.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -44.91 -45.43 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.9 t -70.62 -48.78 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.547 ' CE1' HG13 ' A' ' 142' ' ' ILE . 44.0 t80 -50.19 -47.37 54.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -57.64 -37.21 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -73.83 -47.79 35.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 137' ' ' VAL . 62.7 t -55.08 -62.26 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.547 HG13 ' CE1' ' A' ' 138' ' ' PHE . 47.7 mm -41.66 -43.73 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.077 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 84.7 m -57.12 -42.11 80.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.428 ' CG ' HG13 ' A' ' 35' ' ' VAL . 78.5 t60 -60.78 -58.29 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 166' ' ' PHE . 93.2 mt -45.48 -46.21 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -59.37 -47.79 84.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -52.63 -34.32 50.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.491 HG22 HD11 ' A' ' 43' ' ' LEU . 54.0 t -71.09 -59.54 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 p -41.28 -31.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -49.61 -45.91 48.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -105.8 34.95 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.549 ' CG ' HG22 ' A' ' 158' ' ' THR . 5.6 p80 -54.13 -32.98 56.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.462 ' HA ' ' NZ ' ' A' ' 153' ' ' LYS . 0.0 OUTLIER -61.61 -20.75 63.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.73 -58.98 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -68.36 -14.95 63.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.9 mt 60.58 51.81 4.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.5 mmm -158.69 112.63 2.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 152' ' ' HIS . 80.5 p -101.55 167.3 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -43.69 -38.13 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.01 -61.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -44.78 -51.73 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.57 -48.31 82.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 18.3 t -53.54 -36.38 61.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 49.8 mt -69.21 -20.76 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 78.3 m -100.76 -5.32 26.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.625 ' CE1' HD21 ' A' ' 145' ' ' LEU . 8.6 m-85 -110.35 -22.94 11.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.705 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.1 OUTLIER -66.57 -37.75 16.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.566 0.698 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.705 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.9 Cg_exo -47.98 -26.6 7.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.372 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 171' ' ' MET . 51.7 m -111.8 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 169' ' ' THR . 91.8 mt -34.36 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 169' ' ' THR . 27.1 mtp -133.14 49.97 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 171' ' ' MET . 9.8 ptm180 -33.87 139.46 0.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.712 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -163.45 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 12.0 t0 74.99 40.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -58.16 -21.99 49.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 54.25 50.23 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 178' ' ' ARG . 13.2 t-20 -133.57 173.45 11.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 177' ' ' ASN . 6.2 tpt180 -33.72 119.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -66.77 -13.5 61.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . 0.626 ' O ' HG22 ' A' ' 183' ' ' THR . 2.1 t80 -89.23 -36.81 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.7 mt -87.95 -49.18 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 184' ' ' THR . 39.4 t -38.72 -41.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.724 ' O ' HG23 ' A' ' 183' ' ' THR . 9.0 t -51.17 85.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 182' ' ' SER . 16.0 p -137.31 132.72 34.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -100.79 35.91 2.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.758 HG22 HG23 ' A' ' 190' ' ' VAL . 2.8 mm -91.96 -51.2 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.56 ' CE1' HD11 ' A' ' 108' ' ' LEU . 8.9 m-70 -33.55 -39.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 186' ' ' ILE . 19.2 tt0 -66.55 -54.26 25.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 190' ' ' VAL . 11.9 t -64.57 -52.61 56.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.887 HG22 ' CB ' ' A' ' 111' ' ' ALA . 87.9 t -33.41 -68.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -48.35 -55.3 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 195' ' ' ILE . 30.7 tt0 -46.51 -55.91 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 99.5 m -47.41 -54.64 10.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.575 ' HA ' ' CE2' ' A' ' 201' ' ' PHE . 5.4 m-85 -47.24 -35.06 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 192' ' ' GLU . 49.2 mt -73.08 -63.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.481 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 9.1 mm-40 -48.62 -52.35 23.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.557 ' HG3' HD21 ' A' ' 120' ' ' LEU . 4.2 mm100 -84.77 7.53 20.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 197' ' ' GLN . 25.1 t -34.2 -39.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 204' ' ' ASN . 32.6 mm-40 -67.62 -70.39 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.546 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 0.9 OUTLIER -45.73 -28.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 194' ' ' PHE . 8.5 m-85 -71.41 -50.48 31.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -110.29 -58.97 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 199' ' ' GLN . 65.0 m-85 -69.18 -1.94 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 199' ' ' GLN . 13.2 t30 49.99 28.45 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -63.77 -154.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -97.74 142.02 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.348 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.415 HG23 ' NE2' ' A' ' 197' ' ' GLN . 89.6 mt -59.33 102.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . 0.475 ' N ' HE22 ' A' ' 197' ' ' GLN . 27.1 m -71.29 173.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t 58.13 42.89 21.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.0 p -107.97 82.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.5 110.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 t -81.51 -43.76 18.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.34 -45.93 61.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.98 -43.03 1.99 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 63' ' ' LYS . 1.4 p90 -77.96 165.13 24.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.691 0.282 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.27 117.53 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.5 m -117.74 125.72 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -90.28 -33.57 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -119.33 -46.65 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -51.36 152.12 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.67 -47.26 3.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 17.9 mtm -57.0 157.86 10.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.719 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 150.53 68.19 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 tp -43.83 -60.2 1.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HA ' HG11 ' A' ' 133' ' ' VAL . 3.1 pt20 -38.2 -37.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -80.9 -37.47 29.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 17' ' ' LEU . 66.7 mt -65.76 -50.52 64.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 26' ' ' PRO . 16.5 m -69.73 172.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.55 156.97 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.04 -30.25 61.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -77.55 -34.67 53.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -143.37 106.17 5.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.567 0.699 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.413 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 53.9 Cg_endo -69.69 -22.93 31.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.46 129.61 52.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.72 19.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.622 2.215 . . . . 0.0 112.331 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' PHE . 1.7 tt -45.85 -59.18 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' LEU . 32.8 t80 -35.43 -63.92 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.3 t -48.16 -44.6 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -63.91 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -47.29 -48.73 24.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 81.5 m -65.44 -60.12 3.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' ILE . 75.1 t -55.25 -66.16 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -42.23 -52.34 4.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' CB ' HD12 ' A' ' 73' ' ' LEU . 72.7 t80 -54.64 -39.51 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.835 HD13 ' OH ' ' A' ' 49' ' ' TYR . 19.8 mt -66.24 -58.31 7.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.635 ' HA ' HD13 ' A' ' 43' ' ' LEU . 4.9 pt-20 -62.07 -27.29 68.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -73.93 -44.6 54.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.4 p -81.26 40.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 108.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 39' ' ' GLU . 11.3 tp -88.59 34.49 0.76 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.1 p -133.69 35.35 3.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.1 m -87.5 119.14 27.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -43.4 134.05 4.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 50' ' ' ARG . . . 46.19 55.52 7.59 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CD1' ' A' ' 49' ' ' TYR . 2.2 tt -71.53 -58.96 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.835 ' OH ' HD13 ' A' ' 38' ' ' ILE . 29.2 m-85 -101.09 34.5 2.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HG2' ' CA ' ' A' ' 47' ' ' GLY . 13.4 ptt180 -121.24 -37.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.57 129.57 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.5 m -62.24 125.4 23.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 54' ' ' ASN . . . -75.44 111.25 3.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' GLY . 31.8 t-20 -34.41 101.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -34.31 -41.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -40.8 -56.49 2.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -63.71 -53.01 57.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.551 ' HG2' ' HB2' ' A' ' 86' ' ' ALA . 32.6 mt-30 -48.73 -34.97 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -60.06 -40.76 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -81.45 -45.47 15.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.459 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 79.2 mt -46.6 -36.3 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -91.22 -46.69 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' HG3' ' CH2' ' A' ' 8' ' ' TRP . 31.3 mtpt -57.41 -58.97 5.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -55.26 -46.93 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -50.67 -43.89 57.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -63.76 -65.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -49.51 -37.63 27.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -135.33 117.71 15.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -91.38 23.07 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.41 22.89 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.9 pt -71.8 155.13 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -129.76 97.17 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.503 HD12 ' CB ' ' A' ' 37' ' ' PHE . 41.6 mt -44.03 -41.39 5.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.949 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -50.52 -39.27 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 t -83.84 -28.85 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' HG13 ' A' ' 78' ' ' VAL . 43.3 mtp -66.46 -11.7 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 53.39 35.35 20.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 76' ' ' MET . 31.0 m -74.12 172.85 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.192 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.569 HG23 ' H ' ' A' ' 82' ' ' ALA . 10.2 t -113.57 140.41 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.3 m -43.32 -41.01 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.49 -42.42 70.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.569 ' H ' HG23 ' A' ' 79' ' ' THR . . . -69.31 -61.32 1.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 37' ' ' PHE . 62.1 t -50.1 -42.08 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.15 81.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.45 -41.56 96.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' HG2' ' A' ' 58' ' ' GLN . . . -59.7 -35.03 73.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.41 -59.9 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.518 ' HG2' ' CZ ' ' A' ' 166' ' ' PHE . 48.2 mtmt -52.8 -32.96 46.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.5 63.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' CE1' HD21 ' A' ' 94' ' ' LEU . 2.8 t80 -46.61 -41.77 15.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -59.82 -36.27 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.73 -39.98 84.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.91 -47.03 74.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.476 HD21 ' CE1' ' A' ' 90' ' ' PHE . 32.0 mt -38.94 151.86 0.19 Allowed Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.573 0.702 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -16.74 37.87 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.388 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -144.96 152.24 51.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 98' ' ' LEU . 54.0 Cg_endo -69.72 138.23 37.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.52 HD23 HD22 ' A' ' 170' ' ' LEU . 37.5 tp -36.71 -34.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 171' ' ' MET . 71.5 mt -103.2 120.93 50.57 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.03 52.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.53 ' HA ' ' CG ' ' A' ' 104' ' ' HIS . 5.7 m-85 -61.15 -26.89 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -60.87 -12.71 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.602 HD22 HG23 ' A' ' 126' ' ' ILE . 38.6 mt -125.03 -14.69 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.53 ' CG ' ' HA ' ' A' ' 101' ' ' TYR . 2.4 m170 -36.8 -59.7 0.88 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 110.846 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 104' ' ' HIS . 53.5 Cg_endo -69.72 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -45.19 -40.72 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -65.07 -46.28 81.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.615 HD21 ' ND1' ' A' ' 187' ' ' HIS . 27.8 mt -60.72 -50.31 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -55.2 -34.0 63.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.53 -19.71 29.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.57 -21.03 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -84.25 10.34 10.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.633 HG21 ' HB2' ' A' ' 118' ' ' GLU . 57.3 mt -76.59 131.02 75.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.683 0.754 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -40.53 5.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.478 ' CB ' ' HG3' ' A' ' 118' ' ' GLU . 0.8 OUTLIER -65.72 127.11 30.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.447 ' HE2' ' CG2' ' A' ' 207' ' ' ILE . 18.9 tptm -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 118' ' ' GLU . 18.0 m -67.12 -69.23 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' ' 113' ' ' ILE . 12.4 mt-10 -36.6 -58.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -43.14 -45.83 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD21 ' HG3' ' A' ' 197' ' ' GLN . 96.0 mt -68.49 -67.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -40.3 -53.69 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -46.09 -51.7 13.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.07 -37.72 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.456 ' HG3' ' CD1' ' A' ' 201' ' ' PHE . 8.4 mtpm? -64.01 -21.93 66.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.07 -22.26 36.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.602 HG23 HD22 ' A' ' 103' ' ' LEU . 19.9 mt -98.38 -32.77 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.553 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 p -57.46 -25.87 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -75.66 -36.51 60.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -60.61 -26.73 67.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CD1' ' HA ' ' A' ' 127' ' ' VAL . 21.2 m-85 -45.51 144.18 1.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.535 ' CG ' ' HD2' ' A' ' 132' ' ' PRO . 7.7 t-80 -53.39 141.04 44.17 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.631 0.729 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.535 ' HD2' ' CG ' ' A' ' 131' ' ' HIS . 54.1 Cg_endo -69.75 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.632 HG11 ' HA ' ' A' ' 18' ' ' GLN . 61.4 t -108.73 -33.39 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.448 HD22 HD12 ' A' ' 98' ' ' LEU . 7.5 m120 -95.68 -36.38 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -52.69 -46.75 67.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -49.22 -43.03 42.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 141' ' ' VAL . 40.4 t -70.97 -54.07 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.62 ' CE1' HD11 ' A' ' 142' ' ' ILE . 90.6 t80 -45.32 -48.72 13.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 202' ' ' PHE . 31.4 ttt180 -57.99 -36.81 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -75.15 -36.53 61.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 144' ' ' HIS . 58.2 t -67.76 -62.34 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.62 HD11 ' CE1' ' A' ' 138' ' ' PHE . 41.9 mm -41.88 -37.88 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 86.4 m -63.61 -37.88 89.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.454 ' CG ' HG13 ' A' ' 35' ' ' VAL . 69.9 t60 -65.02 -58.98 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.696 HD22 ' HB3' ' A' ' 162' ' ' LEU . 95.8 mt -46.56 -48.27 19.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -56.17 -48.88 75.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -52.39 -32.23 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.44 -50.6 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 24.0 p -50.81 -37.37 42.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -45.26 -43.58 10.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.449 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 5.9 mp0 -103.5 35.44 2.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.542 ' CE1' ' HE2' ' A' ' 153' ' ' LYS . 6.1 p80 -57.71 -24.48 57.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 152' ' ' HIS . 67.0 mmtt -71.72 -19.78 62.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.0 mt -107.22 -59.23 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 151' ' ' GLN . 18.6 p30 -68.84 -10.65 58.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.0 mt 59.54 46.5 12.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 84.3 mmm -149.8 122.29 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.862 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 152' ' ' HIS . 35.0 p -109.25 160.66 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.429 ' CB ' ' HG2' ' A' ' 196' ' ' GLN . . . -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -53.77 54.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -52.53 -59.71 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.696 ' HB3' HD22 ' A' ' 145' ' ' LEU . 7.8 mt -53.77 -47.64 70.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.43 ' HB2' HD12 ' A' ' 195' ' ' ILE . 6.1 t -57.33 -42.36 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ILE . . . . . . . . . . . . . 22.9 mt -69.02 -23.87 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.5 m -94.68 4.26 54.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 88' ' ' LYS . 8.7 m-85 -125.05 -26.97 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 168' ' ' PRO . 0.0 OUTLIER -61.44 -40.18 69.1 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.54 0.686 . . . . 0.0 110.854 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 167' ' ' TRP . 65.4 Cg_exo -47.95 -45.33 25.18 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 2.285 . . . . 0.0 112.324 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 171' ' ' MET . 53.5 m -88.24 -63.68 1.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.52 HD22 HD23 ' A' ' 98' ' ' LEU . 85.1 mt -37.7 -27.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' MET . . . . . 0.569 ' O ' ' CZ3' ' A' ' 167' ' ' TRP . 42.9 mtp -150.92 117.59 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -94.64 128.82 38.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.447 ' HD3' ' CH2' ' A' ' 167' ' ' TRP . 53.5 Cg_endo -69.83 0.29 5.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.49 51.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 176' ' ' GLU . 0.3 OUTLIER -66.62 -40.94 89.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 175' ' ' PHE . 31.6 mt-10 -38.15 -35.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -84.93 147.34 26.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 179' ' ' GLU . 51.0 mtm-85 -70.35 -38.81 74.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 178' ' ' ARG . 36.7 mt-10 -34.58 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -101.76 177.81 4.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 24.0 mt 53.94 39.71 30.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 183' ' ' THR . 17.6 m -123.9 -38.89 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 182' ' ' SER . 1.0 OUTLIER -37.66 135.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.126 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' THR . . . . . 0.514 ' O ' ' CG ' ' A' ' 185' ' ' LYS . 23.5 p -86.05 -11.54 52.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 184' ' ' THR . 5.4 pttp 46.53 26.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ILE . . . . . 0.401 HD12 ' HB ' ' A' ' 184' ' ' THR . 40.8 mt -101.53 -37.61 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.615 ' ND1' HD21 ' A' ' 108' ' ' LEU . 14.8 m-70 -39.39 -52.22 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -39.77 -44.88 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 2.2 m -68.75 -43.87 74.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.21 -70.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 192' ' ' GLU . 87.3 t -47.71 -66.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 191' ' ' VAL . 26.7 tt0 -34.42 -46.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 84.4 m -62.49 -48.0 81.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 191' ' ' VAL . 4.8 m-85 -56.03 -35.95 67.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.43 HD12 ' HB2' ' A' ' 163' ' ' SER . 63.0 mt -76.42 -57.25 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' GLN . . . . . 0.429 ' HG2' ' CB ' ' A' ' 159' ' ' ALA . 7.1 mm100 -51.41 -39.98 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.457 ' HG3' HD21 ' A' ' 120' ' ' LEU . 41.9 mm-40 -105.27 16.2 26.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.37 -31.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 203' ' ' TYR . 68.1 mm-40 -73.24 -67.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 200' ' ' PHE . 1.1 t80 -49.77 -18.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' PHE . . . . . 0.456 ' CD1' ' HG3' ' A' ' 124' ' ' LYS . 8.8 m-85 -82.45 -46.0 14.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 139' ' ' ARG . 12.8 m-85 -114.81 -54.21 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 199' ' ' GLN . 51.5 m-85 -78.03 8.85 4.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 199' ' ' GLN . 8.4 t-20 44.33 27.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . -59.07 -155.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -107.46 143.19 36.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' ILE . . . . . 0.447 ' CG2' ' HE2' ' A' ' 116' ' ' LYS . 98.8 mt -58.77 127.49 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' VAL . . . . . . . . . . . . . 12.8 m -102.94 174.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.958 . . . . . . . . 0 0 . 1 stop_ save_