data_2ys0_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 2ys0 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 40' ' ' ASN . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.431 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 72.3 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 40' ' ' ASN . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.429 ' N ' HG21 ' A' ' 39' ' ' ILE . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 55.5 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.514 ' ND2' HH11 ' A' ' 14' ' ' ARG . 89.3 m-20 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.514 HH11 ' ND2' ' A' ' 11' ' ' ASN . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' C ' HD23 ' A' ' 20' ' ' LEU . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 9' ' ' THR . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.464 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.552 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 44' ' ' VAL . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' HG21 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG21 ' ND2' ' A' ' 40' ' ' ASN . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.448 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 23' ' ' SER . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' CYS . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 43' ' ' SER . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' SER . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.454 ' CA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 20' ' ' LEU . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' SER . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 40' ' ' ASN . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' ILE . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG11 ' CA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.451 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 46' ' ' GLN . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.462 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 20' ' ' LEU . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 20' ' ' LEU . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' SER . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.454 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 11.6 t30 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.784 0.326 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 20' ' ' LEU . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 43' ' ' SER . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' SER . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 20' ' ' LEU . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.425 ' CB ' HD11 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -63.14 155.1 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 170.9 12.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -89.39 173.83 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -60.19 130.76 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.74 76.33 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 24' ' ' LEU . 86.6 m95 -82.94 41.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.882 0.372 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -142.82 162.33 35.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.96 -139.69 2.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.38 86.49 2.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -125.61 98.47 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 t -164.55 119.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.1 t 48.86 43.13 21.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -139.59 146.64 18.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 t -150.68 131.93 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -81.74 48.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -70.42 127.45 32.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -51.1 147.22 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 77.79 0.18 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.27 134.14 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -75.77 122.96 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.56 178.45 16.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.565 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.484 ' CH2' ' HB3' ' A' ' 24' ' ' LEU . 63.0 m95 -125.47 -46.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -47.7 164.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 40' ' ' ASN . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.431 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 72.3 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.62 92.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.13 135.26 34.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -103.87 93.79 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.8 t -125.36 88.16 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -111.77 87.25 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.0 146.1 8.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -86.7 168.43 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -125.17 176.38 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -76.06 82.02 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 47.07 46.11 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.09 -159.9 22.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -100.16 -17.83 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -106.35 168.99 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.83 151.0 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.552 ' CD1' HD12 ' A' ' 24' ' ' LEU . 79.3 m95 -96.08 40.95 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p -136.19 171.92 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 8' ' ' TRP . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.43 129.24 14.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -81.41 -49.2 10.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -103.13 139.17 38.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -66.14 154.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -76.83 102.15 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.59 155.35 11.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.412 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.72 168.98 19.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.347 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' PRO . 8.6 t -36.88 153.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.5 p -109.21 -50.56 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -134.58 128.51 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 44.54 41.93 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 105.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -106.4 -45.98 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -103.43 160.58 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 161.76 10.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.409 ' CZ2' ' HB3' ' A' ' 24' ' ' LEU . 55.5 m95 -82.42 42.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p -136.65 145.11 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 40' ' ' ASN . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.429 ' N ' HG21 ' A' ' 39' ' ' ILE . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 55.5 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.86 -138.11 2.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -99.93 92.5 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -97.58 81.94 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -174.95 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.8 p -117.56 42.35 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.78 74.28 0.52 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -50.01 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.41 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -163.28 148.19 11.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 m -75.57 166.36 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -97.22 -48.56 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -77.1 83.07 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 116.48 4.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -46.64 -58.49 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.91 173.52 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.6 106.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.463 ' CZ3' ' HB3' ' A' ' 24' ' ' LEU . 54.8 m95 43.32 44.9 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -152.67 146.56 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.514 ' ND2' HH11 ' A' ' 14' ' ' ARG . 89.3 m-20 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.514 HH11 ' ND2' ' A' ' 11' ' ' ASN . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.87 -98.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 46.01 46.46 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -122.84 157.55 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -98.63 41.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 t -134.62 130.94 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.05 146.15 4.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.3 Cg_endo -69.73 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' PRO . 52.8 m -35.16 -49.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t 69.76 43.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -68.31 -43.37 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -172.7 124.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 128.09 46.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -111.31 79.47 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -86.0 41.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 31.84 61.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.437 ' CE2' HD11 ' A' ' 24' ' ' LEU . 99.5 m95 -133.61 60.45 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p -155.76 171.19 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' C ' HD23 ' A' ' 20' ' ' LEU . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 8' ' ' TRP . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 -156.18 17.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -109.8 -43.97 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -52.82 146.5 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 28.1 m -43.11 -61.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -39.94 141.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.98 -94.79 0.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.379 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -167.08 163.28 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -117.32 112.76 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -141.17 143.39 34.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -83.3 159.05 21.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 145.38 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -98.65 125.74 44.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -54.43 -43.81 71.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' C ' ' SG ' ' A' ' 38' ' ' CYS . 96.3 m95 -100.64 39.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p -140.43 138.62 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' C ' ' A' ' 8' ' ' TRP . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.42 -151.61 13.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 48' ' ' GLU . 6.6 tm-20 -89.7 108.98 20.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -145.92 176.66 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 p -118.73 150.27 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m 42.43 42.66 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.69 -157.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -108.61 -50.6 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -106.58 -57.31 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -61.03 -52.37 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -74.53 147.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.34 117.49 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.23 140.4 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.798 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 43.8 t -79.23 151.0 31.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' N ' ' HG ' ' A' ' 6' ' ' SER . . . -52.2 -76.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.644 ' CE2' ' CD1' ' A' ' 24' ' ' LEU . 30.2 m95 58.39 35.8 25.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p -139.42 132.42 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.464 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.644 ' CD1' ' CE2' ' A' ' 8' ' ' TRP . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.552 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 44' ' ' VAL . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.02 -102.08 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -134.62 131.41 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -76.84 81.56 3.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -110.44 89.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -81.67 127.78 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.9 144.54 4.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -87.8 144.79 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -105.77 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -119.36 80.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -120.27 110.87 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.42 76.06 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -52.43 126.54 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -129.6 167.96 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.03 173.66 22.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.562 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.421 ' CZ2' HD21 ' A' ' 24' ' ' LEU . 52.5 m95 -87.88 -61.76 1.65 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' TRP . 65.4 p -37.12 145.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' HG21 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG21 ' ND2' ' A' ' 40' ' ' ASN . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.57 -67.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.46 94.28 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -101.56 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -92.35 -60.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -84.38 83.14 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 -158.19 25.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -11.37 30.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -53.42 -44.92 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 m -72.06 140.9 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -56.69 174.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -85.66 -47.92 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -118.28 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 m -109.23 179.48 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.4 t -34.61 135.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.1 -99.93 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.628 ' CE2' ' CD1' ' A' ' 24' ' ' LEU . 40.4 m95 -126.23 48.4 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.416 HG22 ' C ' ' A' ' 8' ' ' TRP . 70.1 p -149.14 106.13 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.448 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.47 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.628 ' CD1' ' CE2' ' A' ' 8' ' ' TRP . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' CYS . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' HG ' ' N ' ' A' ' 43' ' ' SER . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' ' HG ' ' A' ' 42' ' ' SER . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.83 -87.5 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -167.66 168.74 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -109.04 150.32 27.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t -171.98 137.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -90.03 134.13 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.25 -157.35 27.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 152.88 69.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' SER . 23.7 m -128.89 153.01 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' SER . 80.6 p -35.14 126.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -111.7 42.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -72.74 87.05 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.43 -138.7 10.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.04 42.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 83.92 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 103.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ2' ' HG ' ' A' ' 24' ' ' LEU . 22.5 m95 -108.73 41.95 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -146.26 106.3 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' CA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 20' ' ' LEU . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 8' ' ' TRP . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 40' ' ' ASN . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' ILE . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG11 ' CA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.31 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 23.3 tp10 -97.64 156.2 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -91.73 168.71 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' LYS . 2.1 m -36.56 135.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 m -58.75 -61.01 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.51 -73.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -115.06 124.15 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 p -143.02 137.6 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -87.4 85.91 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -126.89 109.09 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.49 111.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -90.58 88.4 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m 47.14 44.4 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.09 -62.29 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.44 ' CE2' ' HB3' ' A' ' 24' ' ' LEU . 95.6 m95 -102.18 42.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -139.28 128.18 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.425 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.34 -124.77 3.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -88.48 -60.89 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -114.53 165.43 12.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.981 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -127.78 42.46 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.8 p -77.25 130.36 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.34 -158.3 3.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -175.69 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.316 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -90.62 111.65 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.75 169.09 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -111.7 168.57 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -49.99 112.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.46 -105.66 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -50.66 147.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.504 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 4.7 m -95.48 -62.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.55 70.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.624 ' CE2' ' CD1' ' A' ' 24' ' ' LEU . 26.0 m95 -123.66 41.32 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -146.62 106.38 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.451 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.624 ' CD1' ' CE2' ' A' ' 8' ' ' TRP . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.408 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 46' ' ' GLN . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.43 ' OE1' ' NZ ' ' A' ' 32' ' ' LYS . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -145.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -106.7 118.74 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -120.15 42.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t -37.09 -49.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -97.49 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.87 -80.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 -52.59 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -46.72 -47.72 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -103.77 94.56 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -106.07 -62.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -166.04 12.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -127.84 101.01 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -88.46 127.07 35.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.86 70.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.639 ' CE2' ' CD1' ' A' ' 24' ' ' LEU . 23.6 m95 42.69 38.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 p -140.7 106.35 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.462 ' HA ' ' CG1' ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' C ' HD22 ' A' ' 20' ' ' LEU . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 20' ' ' LEU . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.639 ' CD1' ' CE2' ' A' ' 8' ' ' TRP . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 11' ' ' ASN . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.72 -178.95 31.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -125.69 100.83 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -93.51 42.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m 61.7 42.81 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -75.64 95.96 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.48 146.15 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 175.35 8.14 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 98.1 p -81.17 123.04 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 53.0 p -34.74 135.03 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.07 159.67 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -45.35 -44.78 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.05 102.95 0.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -98.92 -50.82 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -52.37 97.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -99.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.45 ' CE2' HD12 ' A' ' 24' ' ' LEU . 67.1 m95 -101.09 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -137.8 117.71 13.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD12 ' CE2' ' A' ' 8' ' ' TRP . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . . . -76.52 148.84 36.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.95 111.74 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -75.53 -52.36 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 p -86.51 109.9 19.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.9 t -110.73 142.8 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.01 170.31 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.55 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 143.96 52.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 m -159.37 177.7 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 m -40.44 117.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 41.28 42.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.01 -44.17 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.9 -65.15 3.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -85.09 145.29 27.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -73.12 135.07 44.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 45.31 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m95 -126.1 68.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -154.92 120.3 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.459 ' HB3' ' CE3' ' A' ' 8' ' ' TRP . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.35 128.79 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -74.6 132.27 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -118.2 -55.59 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -113.35 117.2 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -63.86 102.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 p -72.84 166.59 22.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -90.73 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.36 124.11 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -114.85 82.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.32 53.13 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -107.73 -46.08 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -113.52 88.76 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.85 -154.02 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.563 ' CD1' HD13 ' A' ' 24' ' ' LEU . 79.1 m95 -126.67 42.76 3.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -140.09 123.61 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.454 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD13 ' CD1' ' A' ' 8' ' ' TRP . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.01 134.71 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.02 100.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 150.48 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.4 m -93.86 132.65 38.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -64.09 90.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.85 143.86 7.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 147.33 62.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.274 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.62 152.3 39.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -103.36 173.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -139.79 154.03 47.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -103.69 116.31 32.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 137.76 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -78.71 -25.29 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m 52.4 47.52 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 61.02 3.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CE3' ' HB3' ' A' ' 24' ' ' LEU . 5.4 t-105 -104.46 -45.63 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.47 HG23 ' CD1' ' A' ' 8' ' ' TRP . 70.1 p -97.99 115.4 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 11.6 t30 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.576 ' HB3' ' CE3' ' A' ' 8' ' ' TRP . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' CE3' ' A' ' 8' ' ' TRP . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.46 128.34 5.72 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -122.06 -47.56 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -68.17 83.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -40.39 137.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -137.28 132.28 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.81 -165.23 17.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.7 t -34.37 109.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 m -93.76 158.64 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -41.03 -47.19 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -112.73 -53.85 2.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.81 41.03 6.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t 39.34 43.27 0.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -143.04 164.9 28.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.18 42.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.658 ' CE2' ' CD1' ' A' ' 24' ' ' LEU . 20.3 m95 -131.38 36.96 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.359 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -138.01 120.65 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 20' ' ' LEU . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.658 ' CD1' ' CE2' ' A' ' 8' ' ' TRP . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' HG ' ' N ' ' A' ' 43' ' ' SER . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.466 ' N ' ' HG ' ' A' ' 42' ' ' SER . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.94 -131.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 108.78 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.861 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -129.45 116.9 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -99.4 128.63 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.8 m -126.84 129.03 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.7 65.11 1.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.31 11.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -39.55 -46.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -86.63 135.15 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -168.94 134.21 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 10.0 t -97.77 85.1 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.1 -125.7 0.86 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -110.57 80.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -174.8 170.95 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.7 -73.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 90.3 m95 42.66 40.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.91 0.386 . . . . 0.0 110.989 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p -143.27 152.35 41.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 20' ' ' LEU . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' CB ' HD11 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.26 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 67.15 45.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -121.98 78.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 t -100.23 80.05 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -98.3 -50.62 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.23 119.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -59.42 101.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' HD12 ' A' ' 20' ' ' LEU . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.539 HD12 ' OE2' ' A' ' 17' ' ' GLU . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.7 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 14' ' ' ARG . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 11' ' ' ASN . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' OE2' HD11 ' A' ' 20' ' ' LEU . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD11 ' OE2' ' A' ' 17' ' ' GLU . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' ASN . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.4 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' CYS . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 40' ' ' ASN . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.504 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 10' ' ' CYS . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.598 ' O ' HG11 ' A' ' 44' ' ' VAL . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.598 HG11 ' O ' ' A' ' 10' ' ' CYS . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.488 ' H ' HD23 ' A' ' 20' ' ' LEU . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 9' ' ' THR . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' HG11 ' A' ' 44' ' ' VAL . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.798 ' HA ' HG11 ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.815 ' O ' HG11 ' A' ' 44' ' ' VAL . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 10' ' ' CYS . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.84 ' HA ' HG11 ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 23' ' ' SER . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.81 ' HA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' SER . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.81 HG11 ' HA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 26' ' ' ALA . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 40' ' ' ASN . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.573 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 40' ' ' ASN . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.83 ' HA ' HG11 ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 20' ' ' LEU . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 40' ' ' ASN . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.518 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.83 HG11 ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 44' ' ' VAL . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.689 ' HA ' HG11 ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' SER . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 10' ' ' CYS . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' THR . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' HG21 ' A' ' 44' ' ' VAL . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.644 ' HA ' HG11 ' A' ' 44' ' ' VAL . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.743 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 40' ' ' ASN . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.421 ' N ' HG23 ' A' ' 39' ' ' ILE . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 11' ' ' ASN . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.784 0.326 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 44' ' ' VAL . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 40' ' ' ASN . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE1' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.634 HD22 ' OE1' ' A' ' 17' ' ' GLU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -63.14 155.1 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 170.9 12.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -89.39 173.83 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -60.19 130.76 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' H ' HD12 ' A' ' 24' ' ' LEU . . . -129.74 76.33 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.744 ' CE2' HD13 ' A' ' 24' ' ' LEU . 86.6 m95 -82.94 41.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.882 0.372 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -142.82 162.33 35.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 8' ' ' TRP . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.96 -139.69 2.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.38 86.49 2.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -125.61 98.47 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 t -164.55 119.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.1 t 48.86 43.13 21.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -139.59 146.64 18.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 t -150.68 131.93 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -81.74 48.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -70.42 127.45 32.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -51.1 147.22 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 77.79 0.18 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.27 134.14 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -75.77 122.96 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.56 178.45 16.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.565 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.797 ' CE2' HD13 ' A' ' 24' ' ' LEU . 63.0 m95 -125.47 -46.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -47.7 164.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' HD12 ' A' ' 20' ' ' LEU . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.539 HD12 ' OE2' ' A' ' 17' ' ' GLU . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 ' CE2' ' A' ' 8' ' ' TRP . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.7 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.62 92.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.13 135.26 34.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -103.87 93.79 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.8 t -125.36 88.16 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -111.77 87.25 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.0 146.1 8.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -86.7 168.43 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -125.17 176.38 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -76.06 82.02 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 47.07 46.11 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.09 -159.9 22.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -100.16 -17.83 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -106.35 168.99 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.83 151.0 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 24' ' ' LEU . 79.3 m95 -96.08 40.95 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p -136.19 171.92 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 14' ' ' ARG . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 11' ' ' ASN . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' OE2' HD11 ' A' ' 20' ' ' LEU . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD11 ' OE2' ' A' ' 17' ' ' GLU . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 8' ' ' TRP . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' ASN . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.43 129.24 14.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -81.41 -49.2 10.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -103.13 139.17 38.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -66.14 154.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -76.83 102.15 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.59 155.35 11.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.412 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.72 168.98 19.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.347 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' PRO . 8.6 t -36.88 153.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.5 p -109.21 -50.56 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -134.58 128.51 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 44.54 41.93 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 105.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -106.4 -45.98 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -103.43 160.58 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 161.76 10.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 24' ' ' LEU . 55.5 m95 -82.42 42.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p -136.65 145.11 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 ' NE1' ' A' ' 8' ' ' TRP . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 8' ' ' TRP . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.4 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.86 -138.11 2.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -99.93 92.5 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -97.58 81.94 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -174.95 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.8 p -117.56 42.35 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.78 74.28 0.52 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -50.01 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.41 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -163.28 148.19 11.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 m -75.57 166.36 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -97.22 -48.56 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -77.1 83.07 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 116.48 4.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -46.64 -58.49 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.91 173.52 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.6 106.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.73 ' CZ2' HD22 ' A' ' 24' ' ' LEU . 54.8 m95 43.32 44.9 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -152.67 146.56 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 15' ' ' CYS . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' CZ2' ' A' ' 8' ' ' TRP . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 40' ' ' ASN . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.504 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 10' ' ' CYS . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.87 -98.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 46.01 46.46 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -122.84 157.55 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -98.63 41.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 t -134.62 130.94 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.05 146.15 4.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.3 Cg_endo -69.73 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' PRO . 52.8 m -35.16 -49.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t 69.76 43.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -68.31 -43.37 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -172.7 124.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 128.09 46.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -111.31 79.47 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -86.0 41.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 31.84 61.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CE2' HD13 ' A' ' 24' ' ' LEU . 99.5 m95 -133.61 60.45 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p -155.76 171.19 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.598 ' O ' HG11 ' A' ' 44' ' ' VAL . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 8' ' ' TRP . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.598 HG11 ' O ' ' A' ' 10' ' ' CYS . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 -156.18 17.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -109.8 -43.97 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -52.82 146.5 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 28.1 m -43.11 -61.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -39.94 141.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.98 -94.79 0.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.379 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -167.08 163.28 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -117.32 112.76 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -141.17 143.39 34.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -83.3 159.05 21.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 145.38 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -98.65 125.74 44.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -54.43 -43.81 71.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.766 ' NE1' HD13 ' A' ' 24' ' ' LEU . 96.3 m95 -100.64 39.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p -140.43 138.62 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.702 HD22 ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.488 ' H ' HD23 ' A' ' 20' ' ' LEU . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' NE1' ' A' ' 8' ' ' TRP . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' C ' ' A' ' 8' ' ' TRP . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.42 -151.61 13.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 48' ' ' GLU . 6.6 tm-20 -89.7 108.98 20.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -145.92 176.66 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 p -118.73 150.27 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m 42.43 42.66 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.69 -157.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -108.61 -50.6 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -106.58 -57.31 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -61.03 -52.37 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -74.53 147.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.34 117.49 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.23 140.4 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.798 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 43.8 t -79.23 151.0 31.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.2 -76.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.084 ' CE2' HD12 ' A' ' 24' ' ' LEU . 30.2 m95 58.39 35.8 25.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p -139.42 132.42 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' HG11 ' A' ' 44' ' ' VAL . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.798 ' HA ' HG11 ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 8' ' ' TRP . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.02 -102.08 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -134.62 131.41 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -76.84 81.56 3.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -110.44 89.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -81.67 127.78 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.9 144.54 4.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -87.8 144.79 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -105.77 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -119.36 80.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -120.27 110.87 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.42 76.06 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -52.43 126.54 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -129.6 167.96 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.03 173.66 22.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.562 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' THR . 52.5 m95 -87.88 -61.76 1.65 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' TRP . 65.4 p -37.12 145.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.815 ' O ' HG11 ' A' ' 44' ' ' VAL . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 10' ' ' CYS . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.57 -67.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.46 94.28 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -101.56 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -92.35 -60.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -84.38 83.14 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 -158.19 25.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -11.37 30.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -53.42 -44.92 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 m -72.06 140.9 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -56.69 174.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -85.66 -47.92 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -118.28 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 m -109.23 179.48 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.4 t -34.61 135.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.1 -99.93 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.047 ' CE2' HD12 ' A' ' 24' ' ' LEU . 40.4 m95 -126.23 48.4 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -149.14 106.13 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.84 ' HA ' HG11 ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.047 HD12 ' CE2' ' A' ' 8' ' ' TRP . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.83 -87.5 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -167.66 168.74 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -109.04 150.32 27.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t -171.98 137.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -90.03 134.13 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.25 -157.35 27.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 152.88 69.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' SER . 23.7 m -128.89 153.01 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' SER . 80.6 p -35.14 126.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -111.7 42.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -72.74 87.05 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.43 -138.7 10.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.04 42.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 83.92 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 103.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.948 ' CE2' HD12 ' A' ' 24' ' ' LEU . 22.5 m95 -108.73 41.95 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -146.26 106.3 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.81 ' HA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD12 ' CE2' ' A' ' 8' ' ' TRP . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.81 HG11 ' HA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.31 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 23.3 tp10 -97.64 156.2 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -91.73 168.71 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' LYS . 2.1 m -36.56 135.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 m -58.75 -61.01 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.51 -73.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -115.06 124.15 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 p -143.02 137.6 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -87.4 85.91 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -126.89 109.09 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.49 111.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -90.58 88.4 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m 47.14 44.4 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.802 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.09 -62.29 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.887 ' CD1' HD13 ' A' ' 24' ' ' LEU . 95.6 m95 -102.18 42.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -139.28 128.18 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.538 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 26' ' ' ALA . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.887 HD13 ' CD1' ' A' ' 8' ' ' TRP . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 40' ' ' ASN . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.573 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 40' ' ' ASN . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.34 -124.77 3.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -88.48 -60.89 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -114.53 165.43 12.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.981 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -127.78 42.46 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.8 p -77.25 130.36 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.34 -158.3 3.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -175.69 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.316 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -90.62 111.65 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.75 169.09 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -111.7 168.57 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -49.99 112.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.46 -105.66 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -50.66 147.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 4.7 m -95.48 -62.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.55 70.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.087 ' CE2' HD12 ' A' ' 24' ' ' LEU . 26.0 m95 -123.66 41.32 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -146.62 106.38 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.83 ' HA ' HG11 ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 20' ' ' LEU . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.087 HD12 ' CE2' ' A' ' 8' ' ' TRP . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 40' ' ' ASN . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.518 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.83 HG11 ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -145.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -106.7 118.74 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -120.15 42.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t -37.09 -49.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -97.49 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.87 -80.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 -52.59 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -46.72 -47.72 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -103.77 94.56 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -106.07 -62.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -166.04 12.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -127.84 101.01 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -88.46 127.07 35.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 9' ' ' THR . . . 171.86 70.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.05 ' CE2' HD12 ' A' ' 24' ' ' LEU . 23.6 m95 42.69 38.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 7' ' ' GLY . 50.3 p -140.7 106.35 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 44' ' ' VAL . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.689 ' HA ' HG11 ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 ' CE2' ' A' ' 8' ' ' TRP . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 10' ' ' CYS . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.72 -178.95 31.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -125.69 100.83 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -93.51 42.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m 61.7 42.81 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -75.64 95.96 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.48 146.15 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 175.35 8.14 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 98.1 p -81.17 123.04 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 53.0 p -34.74 135.03 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.07 159.67 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -45.35 -44.78 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.05 102.95 0.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -98.92 -50.82 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -52.37 97.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -99.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 39' ' ' ILE . 67.1 m95 -101.09 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -137.8 117.71 13.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' THR . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 8' ' ' TRP . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' TRP . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.52 148.84 36.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.95 111.74 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -52.36 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 p -86.51 109.9 19.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.9 t -110.73 142.8 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.01 170.31 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.55 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 143.96 52.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 m -159.37 177.7 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 m -40.44 117.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 41.28 42.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.01 -44.17 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.9 -65.15 3.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -85.09 145.29 27.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -73.12 135.07 44.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 45.31 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CZ2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m95 -126.1 68.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -154.92 120.3 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' HG21 ' A' ' 44' ' ' VAL . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.644 ' HA ' HG11 ' A' ' 44' ' ' VAL . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.743 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.474 ' HB3' ' CE3' ' A' ' 8' ' ' TRP . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 40' ' ' ASN . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.421 ' N ' HG23 ' A' ' 39' ' ' ILE . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 11' ' ' ASN . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.35 128.79 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -74.6 132.27 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -118.2 -55.59 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -113.35 117.2 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -63.86 102.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 p -72.84 166.59 22.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -90.73 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.36 124.11 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -114.85 82.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.32 53.13 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -107.73 -46.08 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -113.52 88.76 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' HD12 ' A' ' 24' ' ' LEU . . . -129.85 -154.02 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 24' ' ' LEU . 79.1 m95 -126.67 42.76 3.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -140.09 123.61 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 8' ' ' TRP . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.01 134.71 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.02 100.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 150.48 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.4 m -93.86 132.65 38.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -64.09 90.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.85 143.86 7.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 147.33 62.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.274 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.62 152.3 39.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -103.36 173.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -139.79 154.03 47.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -103.69 116.31 32.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 137.76 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -78.71 -25.29 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m 52.4 47.52 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 61.02 3.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.683 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.4 t-105 -104.46 -45.63 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TRP . 70.1 p -97.99 115.4 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' CE3' ' A' ' 8' ' ' TRP . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.46 128.34 5.72 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -122.06 -47.56 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -68.17 83.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -40.39 137.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -137.28 132.28 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.81 -165.23 17.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.7 t -34.37 109.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 m -93.76 158.64 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -41.03 -47.19 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -112.73 -53.85 2.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.81 41.03 6.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t 39.34 43.27 0.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -143.04 164.9 28.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.18 42.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.041 ' CE2' HD12 ' A' ' 24' ' ' LEU . 20.3 m95 -131.38 36.96 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.359 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -138.01 120.65 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD12 ' CE2' ' A' ' 8' ' ' TRP . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 44' ' ' VAL . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 40' ' ' ASN . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.94 -131.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 108.78 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.861 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -129.45 116.9 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -99.4 128.63 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.8 m -126.84 129.03 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.7 65.11 1.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.31 11.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -39.55 -46.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -86.63 135.15 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -168.94 134.21 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 10.0 t -97.77 85.1 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.1 -125.7 0.86 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -110.57 80.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -174.8 170.95 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 9' ' ' THR . . . 172.7 -73.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.442 ' NE1' HD13 ' A' ' 24' ' ' LEU . 90.3 m95 42.66 40.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.91 0.386 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 7' ' ' GLY . 41.8 p -143.27 152.35 41.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE1' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.634 HD22 ' OE1' ' A' ' 17' ' ' GLU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' NE1' ' A' ' 8' ' ' TRP . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.26 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 67.15 45.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -121.98 78.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 t -100.23 80.05 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -98.3 -50.62 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.23 119.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -59.42 101.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.79 0.329 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' HD12 ' A' ' 20' ' ' LEU . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.539 HD12 ' OE2' ' A' ' 17' ' ' GLU . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 72.3 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 14' ' ' ARG . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 11' ' ' ASN . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' OE2' HD11 ' A' ' 20' ' ' LEU . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD11 ' OE2' ' A' ' 17' ' ' GLU . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' ASN . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.827 0.346 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 55.5 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.82 0.343 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.526 ' ND2' HH11 ' A' ' 14' ' ' ARG . 89.3 m-20 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.526 HH11 ' ND2' ' A' ' 11' ' ' ASN . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 40' ' ' ASN . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.504 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 10' ' ' CYS . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.598 ' O ' HG11 ' A' ' 44' ' ' VAL . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.598 HG11 ' O ' ' A' ' 10' ' ' CYS . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.895 0.378 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.702 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.488 ' H ' HD23 ' A' ' 20' ' ' LEU . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 9' ' ' THR . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' HG11 ' A' ' 44' ' ' VAL . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.798 ' HA ' HG11 ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.815 ' O ' HG11 ' A' ' 44' ' ' VAL . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 10' ' ' CYS . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.842 0.353 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.84 ' HA ' HG11 ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 23' ' ' SER . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.507 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.88 0.372 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.81 ' HA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' SER . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.81 HG11 ' HA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.79 0.328 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 26' ' ' ALA . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 40' ' ' ASN . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.573 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 40' ' ' ASN . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.83 ' HA ' HG11 ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 20' ' ' LEU . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 40' ' ' ASN . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.518 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.83 HG11 ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.3 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 44' ' ' VAL . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.689 ' HA ' HG11 ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' SER . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 10' ' ' CYS . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.85 0.357 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' THR . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' HG21 ' A' ' 44' ' ' VAL . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.644 ' HA ' HG11 ' A' ' 44' ' ' VAL . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.743 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 40' ' ' ASN . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.421 ' N ' HG23 ' A' ' 39' ' ' ILE . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 11' ' ' ASN . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.815 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.472 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 11.6 t30 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' CG ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.784 0.326 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 23' ' ' SER . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 44' ' ' VAL . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 40' ' ' ASN . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE1' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.634 HD22 ' OE1' ' A' ' 17' ' ' GLU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -63.14 155.1 29.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -62.98 -49.2 75.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.86 170.9 12.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.4 p -89.39 173.83 8.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -60.19 130.76 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' H ' HD12 ' A' ' 24' ' ' LEU . . . -129.74 76.33 0.41 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.744 ' CE2' HD13 ' A' ' 24' ' ' LEU . 86.6 m95 -82.94 41.84 0.76 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.882 0.372 . . . . 0.0 110.926 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.5 p -142.82 162.33 35.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 m -123.77 160.38 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -116.74 148.85 40.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.09 -52.37 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -61.37 -48.37 81.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.0 mmm-85 -45.2 -41.07 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 55.9 m -50.04 127.65 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.89 38.44 36.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.547 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -102.37 159.55 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt -133.54 35.35 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.31 108.35 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.56 130.0 18.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 22' ' ' ARG . 8.5 t -129.2 -41.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 21' ' ' THR . 20.5 mmt180 -129.25 79.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 m -153.15 126.25 8.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.744 HD13 ' CE2' ' A' ' 8' ' ' TRP . 28.6 mt -57.35 -46.57 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.7 p -108.28 174.73 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.81 127.67 50.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.19 40.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.9 t -120.94 157.08 30.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.76 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 -46.02 65.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -42.61 -46.82 5.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.423 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 p -43.53 -38.49 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -59.39 -51.52 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.24 -52.43 27.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -61.25 -62.15 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.43 43.99 0.33 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -135.02 42.0 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.353 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 66.2 m -84.67 128.86 34.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.1 m -43.71 155.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.3 tp -54.06 -43.81 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 39' ' ' ILE . 8.0 p-10 -107.43 41.83 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -71.43 -45.94 61.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.9 t -72.73 -37.52 67.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.4 t -60.22 -39.78 87.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.8 t -88.02 -52.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.18 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.7 m -72.22 -60.33 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -78.95 48.38 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.96 -139.69 2.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.38 86.49 2.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.971 0.415 . . . . 0.0 110.881 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -125.61 98.47 5.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 t -164.55 119.02 1.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.1 t 48.86 43.13 21.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -139.59 146.64 18.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.68 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.8 t -150.68 131.93 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 50.6 m -81.74 48.66 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.537 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -70.42 127.45 32.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 m -51.1 147.22 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 77.79 0.18 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.563 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -79.27 134.14 36.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -75.77 122.96 24.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.56 178.45 16.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.565 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.797 ' CE2' HD13 ' A' ' 24' ' ' LEU . 63.0 m95 -125.47 -46.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.844 0.354 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.0 p -47.7 164.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.2 m -119.2 147.48 44.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -106.96 148.55 28.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -38.5 -51.32 1.59 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.14 -48.44 81.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -44.42 -50.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -44.25 99.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.18 54.12 0.56 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' OE2' HD12 ' A' ' 20' ' ' LEU . 8.8 pt-20 -111.56 176.76 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -78.09 171.36 15.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 8.3 tmm_? -72.53 94.27 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.539 HD12 ' OE2' ' A' ' 17' ' ' GLU . 12.5 mt -62.18 156.15 22.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -109.34 -49.43 3.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -109.65 85.37 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.1 t -161.79 144.26 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD13 ' CE2' ' A' ' 8' ' ' TRP . 51.8 mt -56.41 -44.78 80.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.3 p -144.1 177.41 8.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.62 132.48 48.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.8 m -96.84 42.74 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.1 p -126.32 163.13 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -57.52 -44.38 85.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -43.06 -45.55 5.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.3 p -41.7 -38.67 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -54.3 -47.27 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.78 -62.55 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.22 -61.72 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.75 43.49 0.58 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -131.28 42.02 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.7 m -80.07 138.52 36.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.8 m -59.87 154.54 18.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 tp -57.17 -34.64 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 44' ' ' VAL . 18.7 t30 -109.54 39.59 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -80.63 -56.48 4.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 46' ' ' GLN . 57.0 p -69.56 -42.26 74.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -50.94 -41.96 59.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG23 ' ND2' ' A' ' 40' ' ' ASN . 71.5 t -87.7 -52.15 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.9 m -66.98 -62.72 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' SER . 72.3 mt-30 -91.93 80.54 5.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.62 92.17 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -93.13 135.26 34.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -103.87 93.79 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.8 t -125.36 88.16 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -111.77 87.25 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.0 146.1 8.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.55 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.714 2.276 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.7 p -86.7 168.43 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.8 m -125.17 176.38 6.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.929 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 t -76.06 82.02 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.876 0.369 . . . . 0.0 110.865 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m 47.07 46.11 16.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.09 -159.9 22.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -100.16 -17.83 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -106.35 168.99 8.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.83 151.0 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' HD13 ' A' ' 24' ' ' LEU . 79.3 m95 -96.08 40.95 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.81 0.338 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 82.5 p -136.19 171.92 13.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.159 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 7.6 m -125.17 157.05 37.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.407 ' HB2' ' CG ' ' A' ' 14' ' ' ARG . 36.7 m-20 -125.28 153.75 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -45.13 -56.24 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -55.1 -47.79 74.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 11' ' ' ASN . 9.6 mmm180 -48.66 -53.33 19.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -42.09 107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.79 41.3 4.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' OE2' HD11 ' A' ' 20' ' ' LEU . 10.8 pt-20 -115.16 171.47 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -70.36 173.6 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 24.4 mtm105 -71.59 172.95 8.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD11 ' OE2' ' A' ' 17' ' ' GLU . 32.5 mt -145.42 141.75 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.1 p -85.23 -52.51 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -99.17 89.51 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -161.36 157.21 24.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 8' ' ' TRP . 14.3 mt -83.74 -45.86 12.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.9 p -133.76 169.93 16.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.47 137.49 53.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.0 m -109.38 37.91 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -126.93 149.83 49.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.72 -46.13 10.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -41.75 -36.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.7 p -51.99 -42.5 63.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 42.9 mmtt -48.51 -43.24 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -75.55 -62.36 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.938 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.55 -60.73 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.66 40.91 0.89 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -131.04 40.2 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -80.08 127.95 32.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.917 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 39.1 m -41.54 159.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.88 -31.73 45.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -124.11 43.01 3.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.03 -42.24 66.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 46' ' ' GLN . 81.8 p -70.65 -38.41 73.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -66.19 -40.59 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 40' ' ' ASN . 94.3 t -79.6 -51.7 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.136 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.2 m -79.88 -63.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 42' ' ' SER . 76.3 mm-40 -79.87 43.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.43 129.24 14.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.399 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -81.41 -49.2 10.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -103.13 139.17 38.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.0 t -66.14 154.67 39.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -76.83 102.15 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.59 155.35 11.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.412 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.1 Cg_endo -69.72 168.98 19.94 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.733 2.289 . . . . 0.0 112.347 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 53' ' ' PRO . 8.6 t -36.88 153.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 98.5 p -109.21 -50.56 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.444 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -134.58 128.51 33.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t 44.54 41.93 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.04 105.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -106.4 -45.98 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -103.43 160.58 14.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.96 161.76 10.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.812 ' NE1' HD13 ' A' ' 24' ' ' LEU . 55.5 m95 -82.42 42.12 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.9 p -136.65 145.11 44.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.2 m -127.85 159.92 33.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -121.35 154.5 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -50.34 -55.73 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -61.98 -41.77 98.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -49.41 -48.19 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -40.37 108.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.15 44.22 1.03 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.42 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -110.33 167.62 10.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -124.38 16.71 9.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmt-85 -125.35 179.94 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 20' ' ' LEU . 3.7 mm? 46.74 43.09 12.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.0 p -81.79 -44.14 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -60.15 -37.44 80.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.5 t -39.55 159.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.812 HD13 ' NE1' ' A' ' 8' ' ' TRP . 14.1 mt -34.31 -46.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.468 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 29.3 p -140.33 171.37 14.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.12 153.23 47.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -112.15 45.67 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.9 p -127.01 160.99 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -80.3 44.32 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -131.48 -38.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.0 p -47.7 -38.86 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -43.91 -42.43 5.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -64.04 -62.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -60.57 -62.39 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.75 42.71 0.4 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.84 46.01 2.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.51 141.41 29.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.517 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 95.1 m -51.0 168.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 8' ' ' TRP . 6.8 tp -69.6 -26.88 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -127.17 60.92 1.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -94.83 -44.73 7.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' GLN . 95.5 p -71.02 -34.01 70.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -70.63 -40.12 73.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -81.61 -51.92 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.0 m -78.36 -63.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 42' ' ' SER . 55.5 mt-30 -79.96 43.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.86 -138.11 2.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -99.93 92.5 5.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -97.58 81.94 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 t -174.95 105.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 63.8 p -117.56 42.35 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.78 74.28 0.52 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 -50.01 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.63 2.22 . . . . 0.0 112.41 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -163.28 148.19 11.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.0 m -75.57 166.36 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.795 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -97.22 -48.56 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -77.1 83.07 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 116.48 4.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -46.64 -58.49 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.894 0.378 . . . . 0.0 110.931 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -99.91 173.52 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.6 106.38 1.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.73 ' CZ2' HD22 ' A' ' 24' ' ' LEU . 54.8 m95 43.32 44.9 4.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.739 0.304 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.9 p -152.67 146.56 25.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.073 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 14.6 m -99.98 150.09 22.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.526 ' ND2' HH11 ' A' ' 14' ' ' ARG . 89.3 m-20 -118.05 163.9 15.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.14 -45.58 68.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.9 -56.62 12.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.526 HH11 ' ND2' ' A' ' 11' ' ' ASN . 30.6 mtt180 -44.99 -49.39 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' ARG . 72.5 m -36.13 101.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.4 49.73 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' HD22 ' A' ' 20' ' ' LEU . 15.1 pt-20 -108.46 164.64 12.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.372 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -132.31 -174.97 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.9 ptp180 35.77 46.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD23 ' H ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -102.84 66.06 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.2 p -59.7 -55.15 37.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -89.95 97.3 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 p -165.45 119.87 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD22 ' CZ2' ' A' ' 8' ' ' TRP . 19.2 mt -46.72 -49.4 19.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.3 p -124.45 158.44 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.72 108.58 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.633 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 98.2 m -92.68 39.68 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.5 p -124.01 178.51 5.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.84 -48.46 46.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -42.57 -42.26 3.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.4 p -41.57 -39.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -53.17 -44.31 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -70.33 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -54.77 -63.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.23 40.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.87 40.88 3.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.6 m -82.99 133.97 35.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.218 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 13.0 m -45.4 170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 40' ' ' ASN . 10.8 tt -67.75 -45.51 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.504 ' N ' HG23 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -112.61 48.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -62.98 -55.0 29.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 46' ' ' GLN . 63.1 p -70.78 -41.83 71.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.4 t -53.44 -39.03 64.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.585 HG11 ' O ' ' A' ' 10' ' ' CYS . 93.6 t -88.86 -52.04 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 72.2 m -72.36 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' SER . 27.0 mt-30 -70.21 84.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.87 -98.27 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 46.01 46.46 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -122.84 157.55 32.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -98.63 41.3 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 t -134.62 130.94 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.05 146.15 4.83 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 54' ' ' SER . 54.3 Cg_endo -69.73 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' PRO . 52.8 m -35.16 -49.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t 69.76 43.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -68.31 -43.37 77.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -172.7 124.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 128.09 46.74 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.508 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -111.31 79.47 1.21 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -86.0 41.78 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.93 31.84 61.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CE2' HD13 ' A' ' 24' ' ' LEU . 99.5 m95 -133.61 60.45 1.7 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.7 p -155.76 171.19 20.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.598 ' O ' HG11 ' A' ' 44' ' ' VAL . 94.6 m -135.35 132.7 37.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -94.86 162.47 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -40.46 -60.62 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -57.25 -49.32 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 16' ' ' GLY . 13.0 mmt180 -47.15 -52.88 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.3 m -48.66 89.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 107.28 40.75 1.74 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.503 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.5 148.18 26.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -105.68 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -165.42 159.79 17.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -159.98 115.67 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.1 m -86.27 83.48 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.8 mtm-85 52.5 40.45 29.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t -76.08 153.01 36.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 8' ' ' TRP . 49.2 mt -72.82 -46.86 50.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 p -117.77 -175.36 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.5 125.93 54.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.3 m -106.54 40.76 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.9 p -126.79 179.04 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -68.45 -24.57 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.54 35.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' C ' ' SG ' ' A' ' 37' ' ' CYS . 1.7 p -102.14 -31.82 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -72.55 -44.8 61.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -48.22 82.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -77.08 -45.33 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.13 42.39 2.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.529 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -128.96 35.84 4.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.874 0.368 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' ' C ' ' A' ' 31' ' ' CYS . 26.9 m -74.82 110.25 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 62.7 m -40.59 142.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.8 tp -44.72 -35.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -106.98 42.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -90.4 -48.95 6.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLN . 49.6 p -71.51 -32.93 68.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.7 t -67.81 -41.71 82.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.598 HG11 ' O ' ' A' ' 10' ' ' CYS . 84.8 t -84.83 -51.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 33.0 m -69.63 -41.34 75.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' SER . 77.3 mt-30 -118.43 -174.72 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.95 -156.18 17.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -109.8 -43.97 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -52.82 146.5 10.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.462 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 28.1 m -43.11 -61.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -39.94 141.14 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.98 -94.79 0.74 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.385 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 85.99 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.286 . . . . 0.0 112.379 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -167.08 163.28 15.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.2 m -117.32 112.76 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.929 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m -141.17 143.39 34.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -83.3 159.05 21.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.73 145.38 4.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -98.65 125.74 44.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -54.43 -43.81 71.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.83 0.79 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.766 ' NE1' HD13 ' A' ' 24' ' ' LEU . 96.3 m95 -100.64 39.56 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.404 ' N ' ' SG ' ' A' ' 38' ' ' CYS . 42.3 p -140.43 138.62 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.3 m -105.41 140.11 39.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -102.92 161.53 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -48.91 -63.67 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.55 -42.69 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -46.48 -52.87 12.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.0 m -45.76 105.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 43.59 2.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -102.83 167.5 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 110.941 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' ARG . 25.4 mttm -67.88 171.92 6.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' LYS . 1.3 mpp_? -37.64 125.18 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.702 ' C ' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -66.56 158.17 30.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.8 p -133.99 103.49 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 58.72 41.88 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.488 ' H ' HD23 ' A' ' 20' ' ' LEU . 19.3 m -109.37 126.73 53.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD13 ' NE1' ' A' ' 8' ' ' TRP . 66.9 mt -45.28 -53.87 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 p -114.28 169.93 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.49 116.09 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 81.9 m -91.36 42.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -121.7 166.31 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -80.76 42.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.11 -33.68 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 14.7 p -50.44 -45.13 55.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -41.13 -40.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -68.32 -49.39 60.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -71.32 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.5 43.14 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -133.86 43.33 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -89.17 133.86 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' SG ' ' C ' ' A' ' 8' ' ' TRP . 1.8 m -39.95 157.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.83 -23.66 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -124.46 45.38 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -75.53 -53.06 9.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.9 p -71.81 -34.93 69.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -58.34 -36.07 72.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -95.48 -52.23 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.1 m -60.15 -42.91 95.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -124.4 -174.91 3.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.42 -151.61 13.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 48' ' ' GLU . 6.6 tm-20 -89.7 108.98 20.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.8 mmtm -145.92 176.66 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.1 p -118.73 150.27 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m 42.43 42.66 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.69 -157.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.4 p -108.61 -50.6 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 t -106.58 -57.31 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -61.03 -52.37 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -74.53 147.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.34 117.49 4.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -166.23 140.4 4.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.798 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 43.8 t -79.23 151.0 31.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.2 -76.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.084 ' CE2' HD12 ' A' ' 24' ' ' LEU . 30.2 m95 58.39 35.8 25.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.7 p -139.42 132.42 29.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' HG11 ' A' ' 44' ' ' VAL . 32.1 m -76.57 138.95 40.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.798 ' HA ' HG11 ' A' ' 44' ' ' VAL . 53.5 m-20 -133.39 155.96 48.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -39.18 -62.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -50.27 -53.73 26.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' CYS . 9.2 mmt180 -47.38 -54.4 11.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' ARG . 44.7 m -33.47 100.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.55 45.75 1.2 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.48 147.79 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -41.22 154.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -68.97 118.7 12.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.839 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.05 155.71 23.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.7 p -72.38 179.91 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -38.86 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -137.22 159.69 41.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 8' ' ' TRP . 46.9 mt -50.78 -33.78 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -162.4 164.93 26.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.85 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.83 129.08 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 25.6 m -96.84 42.99 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -98.91 179.19 4.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -95.38 29.79 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -130.14 -33.16 1.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.0 p -41.47 -37.33 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' HE2' ' CE1' ' A' ' 41' ' ' TYR . 4.3 mptp? -44.34 -42.82 7.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -66.89 -60.79 2.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.25 -63.11 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.34 30.1 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.439 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.27 40.03 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.5 m -80.33 127.83 32.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.496 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 8.7 m -39.26 137.78 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tp -45.76 -39.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -103.1 43.56 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HE2' ' A' ' 32' ' ' LYS . 30.4 t80 -76.73 -56.29 4.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.7 m -73.61 -42.42 61.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.0 p -50.4 -36.12 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.798 HG11 ' HA ' ' A' ' 11' ' ' ASN . 70.2 t -93.27 -45.34 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -74.26 -69.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -86.76 78.05 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -114.02 -102.08 2.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -134.62 131.41 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -76.84 81.56 3.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.4 t -110.44 89.98 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.9 p -81.67 127.78 33.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.9 144.54 4.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 91.21 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.643 2.229 . . . . 0.0 112.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -87.8 144.79 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -105.77 106.33 16.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -119.36 80.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -120.27 110.87 17.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.42 76.06 0.64 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -52.43 126.54 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -129.6 167.96 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.03 173.66 22.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.562 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' THR . 52.5 m95 -87.88 -61.76 1.65 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.352 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 8' ' ' TRP . 65.4 p -37.12 145.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.815 ' O ' HG11 ' A' ' 44' ' ' VAL . 53.3 m -99.5 152.93 19.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' LYS . 7.1 m120 -105.46 139.38 40.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' ASN . 31.3 tptt -34.23 -44.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -69.35 -51.25 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' CYS . 11.7 mmt180 -43.61 -44.88 6.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' ARG . 74.0 m -34.35 124.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.29 56.71 14.13 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.26 156.63 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.944 0.402 . . . . 0.0 110.876 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -134.93 38.56 3.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -123.03 171.28 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt 59.64 51.59 6.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.2 m -39.9 -31.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -100.48 50.25 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' LEU . 36.8 p -102.49 133.67 47.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' SER . 1.6 tt -33.88 -61.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.6 p -129.8 150.24 51.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' CYS . . . -91.25 142.93 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.7 m -114.42 41.53 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.4 p -119.11 169.6 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.796 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.42 22.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.844 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -112.61 -31.72 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 7.6 p -68.06 -20.64 64.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mtmm -55.35 -38.14 68.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.12 -57.56 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -59.1 -60.62 3.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.23 47.06 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' CYS . 6.3 t70 -121.27 -24.03 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 63.7 m -35.32 132.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.585 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 34.7 m -53.93 134.58 43.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.9 tt -42.87 -33.33 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.224 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' A' ' 44' ' ' VAL . 20.5 t30 -106.7 45.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -79.14 -47.23 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.4 t -70.54 -61.52 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 42' ' ' SER . 18.0 t -36.96 -37.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.815 HG11 ' O ' ' A' ' 10' ' ' CYS . 95.1 t -87.92 -51.05 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.59 -73.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.05 44.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.57 -67.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.524 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.46 94.28 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.935 0.398 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -101.56 149.41 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -92.35 -60.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 m -84.38 83.14 8.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.43 -158.19 25.76 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -11.37 30.64 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -53.42 -44.92 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 m -72.06 140.9 49.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -56.69 174.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.934 0.397 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -85.66 -47.92 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.73 -118.28 0.72 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.439 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 3.3 m -109.23 179.48 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 48.4 t -34.61 135.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.1 -99.93 1.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.047 ' CE2' HD12 ' A' ' 24' ' ' LEU . 40.4 m95 -126.23 48.4 2.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.1 p -149.14 106.13 3.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 48.8 m -49.61 164.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.84 ' HA ' HG11 ' A' ' 44' ' ' VAL . 58.3 m-80 -150.29 152.19 34.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -41.82 -40.65 2.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.12 -54.43 11.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' CYS . 57.9 mtp85 -51.34 -44.77 62.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' ARG . 86.0 m -34.15 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.4 43.5 0.5 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -100.89 156.44 17.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -138.6 171.79 13.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 4.7 mmm180 51.45 54.59 10.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD11 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -107.84 93.99 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 22' ' ' ARG . 51.3 p -49.56 175.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 21' ' ' THR . 25.1 mmm180 -34.52 101.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.8 m -132.61 129.85 39.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.047 HD12 ' CE2' ' A' ' 8' ' ' TRP . 98.5 mt -33.75 -50.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 1.8 p -126.88 168.69 14.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.594 ' HB1' HD11 ' A' ' 20' ' ' LEU . . . -135.54 121.43 19.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.06 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 67.1 m -92.21 44.63 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.9 p -125.89 163.71 22.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -77.29 47.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.818 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.0 -37.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.9 p -44.94 -35.8 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -42.92 -41.48 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -88.28 -55.99 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -51.26 -62.33 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.55 41.86 1.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.531 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -134.52 45.23 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 11.7 m -78.11 131.83 37.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.048 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 12.5 m -48.4 150.17 1.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 40' ' ' ASN . 2.8 tp -37.24 -44.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.545 ' HB2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -123.37 54.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 1.9 t80 -78.74 -50.8 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 99.2 p -74.85 -39.19 61.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.3 t -62.56 -36.81 83.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.84 HG11 ' HA ' ' A' ' 11' ' ' ASN . 74.6 t -84.54 -48.15 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.9 m -75.67 -65.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.66 105.75 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.83 -87.5 0.91 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -167.66 168.74 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -109.04 150.32 27.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.6 t -171.98 137.91 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -90.03 134.13 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.25 -157.35 27.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 152.88 69.27 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' SER . 23.7 m -128.89 153.01 47.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' SER . 80.6 p -35.14 126.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.798 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 p -111.7 42.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 p -72.74 87.05 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.43 -138.7 10.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -110.04 42.55 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.904 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -119.81 83.92 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 103.98 0.56 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.948 ' CE2' HD12 ' A' ' 24' ' ' LEU . 22.5 m95 -108.73 41.95 1.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.3 p -146.26 106.3 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 18.2 m -44.64 145.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.81 ' HA ' HG11 ' A' ' 44' ' ' VAL . 74.1 m-20 -134.71 148.39 50.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' CE ' ' O ' ' A' ' 44' ' ' VAL . 25.9 mmtp -40.62 -43.16 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -68.38 -57.35 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' CYS . 60.2 mtp180 -45.8 -46.8 15.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' ARG . 67.8 m -34.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.68 54.11 1.26 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -121.41 152.73 38.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -134.9 40.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -115.75 46.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -158.12 139.65 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 m -110.17 -60.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -125.53 102.16 7.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' LEU . 39.0 m -143.2 149.67 38.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.948 HD12 ' CE2' ' A' ' 8' ' ' TRP . 84.2 mt -34.52 -53.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -129.21 174.54 9.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.97 120.12 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 35.8 m -89.8 40.29 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 p -115.97 144.33 44.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -40.22 -42.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.26 -42.43 61.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 p -46.45 -35.13 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -55.69 -42.27 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.91 -53.98 6.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -57.6 -59.99 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.07 50.25 0.59 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 31.3 m-20 -125.88 -9.34 6.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.832 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.0 m -34.49 119.24 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.681 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.7 m -43.78 154.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.8 tt -54.67 -32.48 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -109.64 39.29 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.02 -58.91 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' GLN . 27.8 p -71.99 -46.0 58.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -46.69 -36.78 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.81 HG11 ' HA ' ' A' ' 11' ' ' ASN . 97.6 t -94.71 -52.28 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 80.6 m -70.12 -60.81 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.8 mm-40 -89.24 81.54 6.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.58 -127.31 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 49' ' ' LYS . 23.3 tp10 -97.64 156.2 16.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -91.73 168.71 11.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' LYS . 2.1 m -36.56 135.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 m -58.75 -61.01 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.51 -73.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.569 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.6 t -115.06 124.15 50.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.819 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 p -143.02 137.6 29.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.512 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 m -87.4 85.91 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -126.89 109.09 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.49 111.18 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -90.58 88.4 7.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m 47.14 44.4 15.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.802 ' C ' HD12 ' A' ' 24' ' ' LEU . . . -80.09 -62.29 2.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.887 ' CD1' HD13 ' A' ' 24' ' ' LEU . 95.6 m95 -102.18 42.95 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.0 p -139.28 128.18 23.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.538 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 m -85.93 162.94 18.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -123.76 145.57 48.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -39.52 -55.4 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -57.42 -51.4 69.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -44.58 -45.37 9.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.7 m -38.35 116.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.23 37.98 10.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 2.0 pp20? -91.31 163.07 14.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 13.1 pttt -68.02 168.91 10.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LYS . 23.6 mtp180 -36.66 113.84 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 26' ' ' ALA . 1.7 pt? -47.46 174.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -148.75 112.28 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 38.63 43.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.1 m -113.43 147.25 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.887 HD13 ' CD1' ' A' ' 8' ' ' TRP . 59.8 mt -50.46 -55.74 14.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 18.9 p -121.33 175.63 6.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -128.24 113.13 15.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 m -88.45 43.05 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -118.43 176.26 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.45 -40.87 76.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.86 -43.37 18.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.58 -42.63 7.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 67.5 mmtt -45.73 -40.03 8.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.38 -62.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -70.93 -64.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 115.76 52.26 0.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -104.21 -17.71 14.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 38' ' ' CYS . 1.7 m -42.14 122.82 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -35.03 152.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 40' ' ' ASN . 18.0 tt -54.0 -41.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.573 ' O ' HG23 ' A' ' 44' ' ' VAL . 16.2 p-10 -97.71 45.2 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -79.61 -44.04 21.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 p -69.33 -41.98 75.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -62.21 -42.42 99.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 40' ' ' ASN . 84.9 t -75.47 -52.3 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.5 m -71.56 -66.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -77.76 94.04 4.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.01 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.34 -124.77 3.49 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -88.48 -60.89 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.938 0.399 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -114.53 165.43 12.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.981 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.7 m -127.78 42.46 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.8 p -77.25 130.36 37.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.34 -158.3 3.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -175.69 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.316 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 t -90.62 111.65 23.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.75 169.09 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -111.7 168.57 9.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 t -49.99 112.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.46 -105.66 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.5 p -50.66 147.04 5.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.964 0.411 . . . . 0.0 110.835 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 8' ' ' TRP . 4.7 m -95.48 -62.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.55 70.03 1.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.087 ' CE2' HD12 ' A' ' 24' ' ' LEU . 26.0 m95 -123.66 41.32 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.377 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -146.62 106.38 3.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.655 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 57.7 m -56.14 136.69 52.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.83 ' HA ' HG11 ' A' ' 44' ' ' VAL . 4.4 t-20 -130.9 159.72 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -45.76 -55.02 7.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.997 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -58.0 -50.88 71.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 16' ' ' GLY . 12.7 mmt180 -47.63 -50.69 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' ARG . 21.8 m -32.37 93.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 110.36 50.81 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.95 -179.55 5.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -73.72 174.37 8.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -63.23 169.48 3.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.636 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.4 pt? -143.2 157.53 44.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.9 p -108.51 -57.04 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -142.6 112.7 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 20' ' ' LEU . 8.2 p -155.87 162.42 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.087 HD12 ' CE2' ' A' ' 8' ' ' TRP . 65.3 mt -64.61 -42.75 95.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.98 159.78 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.636 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -129.48 114.83 16.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 76.3 m -92.88 44.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.0 p -117.6 178.79 4.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.38 -36.48 76.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.2 p-10 -87.89 36.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' SG ' ' CE2' ' A' ' 41' ' ' TYR . 2.2 p -100.18 -35.84 9.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -67.19 -58.69 4.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -44.08 -40.76 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.3 -65.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.45 52.12 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' CYS . 39.7 m-20 -123.95 -18.48 5.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 6.5 m -33.92 115.21 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.791 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 3.9 m -45.93 146.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 40' ' ' ASN . 9.3 tt -43.02 -46.0 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.518 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.2 p-10 -95.31 35.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 9.0 t80 -69.62 -60.59 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -71.42 -37.3 71.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 t -55.25 -34.11 63.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.83 HG11 ' HA ' ' A' ' 11' ' ' ASN . 96.0 t -96.09 -52.44 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 78.2 m -72.3 -70.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -79.98 80.45 6.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -145.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -106.7 118.74 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -120.15 42.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 49' ' ' LYS . 8.7 t -37.09 -49.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -97.49 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.87 -80.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.66 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -78.57 -52.59 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -46.72 -47.72 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -103.77 94.56 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -106.07 -62.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.6 -166.04 12.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 m -127.84 101.01 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 110.818 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -88.46 127.07 35.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 9' ' ' THR . . . 171.86 70.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.05 ' CE2' HD12 ' A' ' 24' ' ' LEU . 23.6 m95 42.69 38.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 7' ' ' GLY . 50.3 p -140.7 106.35 5.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.168 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 44' ' ' VAL . 10.3 m -51.6 151.52 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.689 ' HA ' HG11 ' A' ' 44' ' ' VAL . 78.6 m-20 -137.24 141.15 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' ASN . 2.3 pttp -34.47 -47.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -63.68 -56.88 12.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' CYS . 56.3 mtp85 -45.4 -47.55 13.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.7 m -34.42 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.6 49.22 1.21 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -108.22 176.52 5.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.03 174.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -77.03 147.79 36.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.94 116.9 31.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -63.98 -57.92 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -129.56 109.23 10.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 24' ' ' LEU . 1.2 t -169.2 131.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 ' CE2' ' A' ' 8' ' ' TRP . 79.9 mt -35.99 -49.19 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 6.0 p -135.3 176.52 8.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.72 125.28 6.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 m -90.1 42.43 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.5 t -132.43 154.71 49.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -45.11 -39.97 6.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -45.57 -38.19 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 1.1 p -64.89 -42.49 94.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 24.1 mttp -56.04 -46.85 78.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.796 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.02 -59.45 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -60.92 -60.23 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 117.96 44.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -133.0 49.75 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.44 163.22 17.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 10.5 m -76.53 137.81 39.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.5 tt -46.04 -32.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -111.98 44.28 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -72.82 -57.9 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 46' ' ' GLN . 23.3 p -71.56 -42.33 67.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.867 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.0 t -50.76 -39.47 52.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 10' ' ' CYS . 90.9 t -89.58 -51.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 87.8 m -71.11 -62.55 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 42' ' ' SER . 28.2 mm100 -74.48 78.42 1.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.72 -178.95 31.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -125.69 100.83 6.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.87 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -93.51 42.13 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m 61.7 42.81 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -75.64 95.96 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 161.48 146.15 4.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 175.35 8.14 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.388 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' SER . 98.1 p -81.17 123.04 28.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' SER . 53.0 p -34.74 135.03 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.54 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -146.07 159.67 42.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -45.35 -44.78 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.05 102.95 0.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -98.92 -50.82 4.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 m -52.37 97.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.815 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 -99.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' HG22 ' A' ' 39' ' ' ILE . 67.1 m95 -101.09 41.03 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.8 p -137.8 117.71 13.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 23.6 m -84.36 163.75 19.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -125.59 162.52 24.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -51.4 -55.83 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -55.62 -48.11 75.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -46.17 -54.82 8.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 m -41.91 117.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.817 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.94 41.27 3.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -126.44 154.67 43.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -134.87 35.45 3.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' C ' HD13 ' A' ' 20' ' ' LEU . 55.3 mtt-85 -154.11 124.28 6.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' N ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -152.98 177.66 10.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' THR . 8.9 t -131.17 115.47 16.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 73.7 mtt-85 34.4 40.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 t -76.7 126.11 30.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 ' CE2' ' A' ' 8' ' ' TRP . 9.6 mt -48.72 -43.81 37.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 26.3 p -132.45 164.47 26.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.19 141.39 45.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 57.9 m -103.64 40.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.7 p -116.45 157.6 24.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.68 36.17 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -129.72 -37.27 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -47.78 -42.13 25.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' N ' ' SG ' ' A' ' 37' ' ' CYS . 14.4 ptpt -41.21 -41.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.11 -45.54 88.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -75.15 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.7 41.96 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -134.84 40.99 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 58.3 m -88.98 161.69 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.843 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 80.0 m -70.26 166.59 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 8' ' ' TRP . 11.1 tt -69.1 -28.85 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -124.97 41.16 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -58.2 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -68.56 -39.76 80.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.9 m -50.27 -41.77 51.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.9 t -90.85 -52.16 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.36 -63.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -85.32 84.64 7.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.52 148.84 36.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.95 111.74 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.92 0.391 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -52.36 10.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 p -86.51 109.9 19.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.9 t -110.73 142.8 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.01 170.31 25.39 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.55 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 143.96 52.83 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 m -159.37 177.7 10.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 m -40.44 117.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 41.28 42.87 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.01 -44.17 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.9 -65.15 3.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -85.09 145.29 27.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -73.12 135.07 44.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.95 45.31 2.68 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CZ2' ' HB3' ' A' ' 24' ' ' LEU . 91.9 m95 -126.1 68.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.946 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p -154.92 120.3 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.454 ' O ' HG21 ' A' ' 44' ' ' VAL . 2.9 m -100.59 154.08 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.644 ' HA ' HG11 ' A' ' 44' ' ' VAL . 2.3 m120 -132.77 159.14 40.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -45.75 -54.64 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -56.49 -44.53 80.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 15' ' ' CYS . 1.7 mmp_? -53.49 -54.05 42.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 14' ' ' ARG . 23.5 m -34.5 133.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.87 54.9 15.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.422 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -128.36 161.14 30.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.372 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -135.07 43.1 2.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 19' ' ' ARG . 23.5 ttm105 -131.55 50.58 2.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.743 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -83.96 36.88 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.7 m -51.99 101.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 63.99 29.17 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -91.39 130.4 37.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 98.2 mt -53.39 -53.95 43.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.474 ' HB3' ' CE3' ' A' ' 8' ' ' TRP . 1.2 p -108.65 -177.18 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.36 114.5 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.17 40.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.0 t -130.06 155.03 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' LYS . 4.3 p-10 -51.79 -46.84 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -37.92 -33.26 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 3.5 p -63.58 -45.65 89.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -42.3 -39.47 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -76.19 -60.36 2.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -55.37 -61.62 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.52 43.8 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -131.87 41.13 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 41' ' ' TYR . 3.0 m -89.25 125.38 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -36.31 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 40' ' ' ASN . 11.3 tt -46.85 -41.02 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.421 ' N ' HG23 ' A' ' 39' ' ' ILE . 18.6 p-10 -110.02 51.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.505 ' CG ' ' HB3' ' A' ' 37' ' ' CYS . 17.7 t80 -85.51 -48.8 8.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 46' ' ' GLN . 79.9 p -68.29 -44.86 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.3 p -54.44 -47.63 72.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG11 ' HA ' ' A' ' 11' ' ' ASN . 73.1 t -75.94 -52.27 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 76.6 m -78.97 -69.89 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' SER . 21.2 mm100 -63.8 81.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 144.35 128.79 2.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -74.6 132.27 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -118.2 -55.59 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -113.35 117.2 31.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.0 t -63.86 102.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -154.1 83.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.74 3.26 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.6 p -72.84 166.59 22.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.1 m -90.73 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.36 124.11 30.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -114.85 82.3 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.32 53.13 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.423 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -107.73 -46.08 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -113.52 88.76 2.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.485 ' O ' HD12 ' A' ' 24' ' ' LEU . . . -129.85 -154.02 7.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.71 ' CD1' HD13 ' A' ' 24' ' ' LEU . 79.1 m95 -126.67 42.76 3.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.827 0.346 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.3 p -140.09 123.61 17.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 10.5 m -78.34 171.32 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -143.74 170.84 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -55.86 -53.1 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -59.47 -44.42 93.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -44.93 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 m -44.03 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.92 42.98 2.0 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.4 174.64 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.908 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 6.4 ptmt -93.76 176.44 6.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.485 ' HE ' ' N ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -70.93 94.11 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 2.9 mp -97.76 160.5 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.4 p -114.07 -49.6 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -81.5 43.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.3 p -126.59 110.82 13.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 8' ' ' TRP . 55.7 mt -38.82 -52.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.6 p -125.29 173.85 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . . . -132.56 114.59 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.16 37.4 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.9 t -111.43 164.17 13.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.87 -43.06 94.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.4 -40.95 12.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.8 OUTLIER -44.15 -44.0 7.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 8.3 mmmm -45.25 -38.37 5.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -69.18 -61.19 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.01 -62.97 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 114.11 54.12 0.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.559 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' CYS . 5.9 m-20 -107.66 -21.28 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 m -36.57 129.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -43.97 168.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 tp -59.01 -35.78 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.02 55.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CD2' ' SG ' ' A' ' 37' ' ' CYS . 7.5 t80 -73.82 -63.78 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.9 p -67.46 -37.08 82.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -53.6 -33.96 56.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.0 t -94.67 -50.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -75.91 -68.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -84.99 84.23 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -172.01 134.71 3.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.02 100.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 150.48 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.4 m -93.86 132.65 38.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -64.09 90.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.85 143.86 7.96 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.425 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 147.33 62.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.661 2.241 . . . . 0.0 112.274 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.62 152.3 39.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.6 p -103.36 173.88 6.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -139.79 154.03 47.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.94 0.4 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -103.69 116.31 32.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.24 137.76 25.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 p -78.71 -25.29 44.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m 52.4 47.52 24.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 61.02 3.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.543 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.683 ' CD2' HD13 ' A' ' 24' ' ' LEU . 5.4 t-105 -104.46 -45.63 4.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.835 0.35 . . . . 0.0 110.946 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 8' ' ' TRP . 70.1 p -97.99 115.4 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -65.79 135.73 55.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.472 ' ND2' ' H ' ' A' ' 13' ' ' PHE . 11.6 t30 -128.14 163.06 25.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -45.23 -59.57 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.472 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 26.4 t80 -55.02 -56.54 18.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.9 mmt180 -39.16 -48.77 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ARG . 49.1 m -33.13 93.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 108.47 48.06 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -119.77 156.0 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -134.94 80.28 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -171.65 110.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 2.3 pt? -173.59 155.66 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -138.52 105.41 5.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 40.3 48.74 2.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -91.68 164.62 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -38.49 -49.17 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.466 ' SG ' ' CE3' ' A' ' 8' ' ' TRP . 3.2 p -159.87 177.49 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . . . -120.68 152.16 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.3 m -118.72 44.25 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 p -124.81 166.95 15.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.43 -41.13 75.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -47.3 -33.75 5.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 31.9 mmtt -51.0 -39.15 55.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -82.0 -58.61 2.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.5 -58.41 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.06 43.84 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 30.2 t70 -128.87 41.23 3.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.5 m -87.57 136.75 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.64 140.27 54.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.0 tt -43.59 -29.7 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 21.4 p-10 -106.2 40.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 4.1 t80 -87.81 -60.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' GLN . 25.1 p -72.21 -40.09 68.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.818 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -61.81 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 40' ' ' ASN . 66.6 t -85.29 -52.28 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.167 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.7 m -70.37 -54.98 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' SER . 35.5 mt-30 -97.44 82.42 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.46 128.34 5.72 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -122.06 -47.56 2.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -68.17 83.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -40.39 137.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 t -137.28 132.28 33.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.81 -165.23 17.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 54' ' ' SER . 53.9 Cg_endo -69.71 2.74 3.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.379 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 53' ' ' PRO . 1.7 t -34.37 109.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 29.8 m -93.76 158.64 15.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -41.03 -47.19 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.907 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -112.73 -53.85 2.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.81 41.03 6.49 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t 39.34 43.27 0.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.9 0.381 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -143.04 164.9 28.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.18 42.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.041 ' CE2' HD12 ' A' ' 24' ' ' LEU . 20.3 m95 -131.38 36.96 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.359 . . . . 0.0 110.932 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.1 p -138.01 120.65 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 29.6 m -66.92 138.87 57.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -130.82 174.45 9.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -52.09 -70.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -46.9 -53.18 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 16' ' ' GLY . 30.3 mmm-85 -42.0 -50.81 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' ARG . 56.3 m -33.29 94.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . 114.67 41.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -94.71 158.79 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.4 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -137.45 179.89 6.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.4 55.07 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -107.2 114.19 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' SER . 13.3 t -119.85 147.95 44.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.0 OUTLIER 30.72 39.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 21' ' ' THR . 4.4 t -99.97 118.7 36.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD12 ' CE2' ' A' ' 8' ' ' TRP . 59.4 mt -34.02 -46.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 38' ' ' CYS . 5.5 p -139.13 163.19 33.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . -140.43 118.42 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 41' ' ' TYR . 36.9 m -85.24 41.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -106.25 178.92 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.56 -42.46 29.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.85 64.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.8 OUTLIER -49.79 -42.25 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 18.8 mmtp -50.42 -44.81 55.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -78.55 -60.16 2.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.8 mm-40 -55.07 -59.09 5.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 116.95 45.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -128.53 49.37 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 2.7 m -102.69 145.51 29.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.672 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 4.0 m -59.55 172.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.6 tt -70.22 -26.32 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.498 ' HB2' HG23 ' A' ' 44' ' ' VAL . 52.4 p-10 -115.74 36.96 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 18.1 t80 -63.06 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 56.1 p -73.12 -49.08 30.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.8 t -42.82 -27.44 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 40' ' ' ASN . 97.2 t -104.16 -52.19 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.48 -63.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -62.53 -37.63 86.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.94 -131.81 1.83 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.2 108.78 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.939 0.399 . . . . 0.0 110.861 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -129.45 116.9 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.4 m -99.4 128.63 45.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.8 m -126.84 129.03 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.7 65.11 1.65 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 173.31 11.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -39.55 -46.27 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 m -86.63 135.15 33.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.446 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -168.94 134.21 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 10.0 t -97.77 85.1 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.1 -125.7 0.86 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.9 p -110.57 80.84 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -174.8 170.95 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.572 ' O ' HG23 ' A' ' 9' ' ' THR . . . 172.7 -73.0 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.442 ' NE1' HD13 ' A' ' 24' ' ' LEU . 90.3 m95 42.66 40.36 1.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.91 0.386 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 7' ' ' GLY . 41.8 p -143.27 152.35 41.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 85.3 m -116.58 165.18 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -133.83 158.0 44.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -47.9 -48.42 31.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -62.48 -53.31 56.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' CYS . 20.1 mtp180 -43.97 -50.09 8.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' ARG . 65.5 m -34.45 109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.07 40.4 4.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.634 ' OE1' HD22 ' A' ' 20' ' ' LEU . 6.6 pt-20 -79.46 -174.81 4.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.931 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -107.15 160.99 15.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 18' ' ' LYS . 6.2 tpp180 -34.57 144.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.634 HD22 ' OE1' ' A' ' 17' ' ' GLU . 2.0 pt? -152.35 130.9 12.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.0 m -101.62 -62.5 1.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -69.97 81.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.443 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.4 m -171.37 136.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD13 ' NE1' ' A' ' 8' ' ' TRP . 75.9 mt -56.17 -55.2 35.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -124.24 -179.36 4.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.98 130.76 36.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 70.9 m -99.47 39.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' ' CG ' ' A' ' 17' ' ' GLU . 22.4 p -130.16 170.62 13.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -56.76 -38.36 72.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -43.76 -46.8 7.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 p -43.8 -37.29 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -52.73 -45.07 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.52 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -58.74 -62.75 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.55 28.74 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.401 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -118.38 41.84 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.3 m -70.4 120.51 16.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.3 m -42.27 136.33 2.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.6 tt -46.05 -34.68 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -105.38 40.89 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -86.31 -66.7 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 46' ' ' GLN . 71.9 p -68.25 -33.01 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.8 m -58.61 -41.98 87.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.62 -52.17 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.8 m -70.55 -67.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' SER . 20.0 mm-40 -83.09 43.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.26 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 67.15 45.94 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.894 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -121.98 78.67 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.0 t -100.23 80.05 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.5 t -98.3 -50.62 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -141.23 119.08 1.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 2.84 3.16 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.727 2.285 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -59.42 101.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.5 m -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.984 . . . . . . . . 0 0 . 1 stop_ save_